Hydrochloric Acid

Hydrochloric Acid

SCHEMBL665365

CN(C)C/C=C/C(=O)O.Cl

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP known ✓ O00591 2/20 0.31
GABRD known ✓ O14764 2/20 0.31
GABRA1 known ✓ P14867 2/20 0.31
GABRB1 known ✓ P18505 2/20 0.31
GABRG2 known ✓ P18507 2/20 0.31
GABRB3 known ✓ P28472 2/20 0.31
GABRA5 known ✓ P31644 2/20 0.31
GABRA3 known ✓ P34903 2/20 0.31
GABRA2 known ✓ P47869 2/20 0.31
GABRB2 known ✓ P47870 2/20 0.31
GABRA4 known ✓ P48169 2/20 0.31
GABRE known ✓ P78334 2/20 0.31
GABRA6 known ✓ Q16445 2/20 0.31
GABRG1 known ✓ Q8N1C3 2/20 0.31
GABRG3 known ✓ Q99928 2/20 0.31
GABRQ known ✓ Q9UN88 2/20 0.31
TSHR P16473 3/20 0.44
GABRR1 P24046 2/20 0.44
GABRR2 P28476 2/20 0.44
BLM P54132 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL665366 1.00 TSHR (0.44) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL692137 0.97
SCHEMBL255887 0.97
SCHEMBL3706927 0.97
Methylene Chloride SCHEMBL28375080 0.93 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
Hydrochloric Acid SCHEMBL20305534 0.93 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
Hydrochloric Acid SCHEMBL2132221 0.84 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
Hydrochloric Acid SCHEMBL2130832 0.84 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL2607971 0.84
Maleic Acid SCHEMBL22367552 0.82 TSHR (0.38) TSHRGABRR1GABRR2BLMGABRR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 825 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041337-A Preparation method of afatinib and maleate thereof 天津玖合成城企业管理合伙企业(有限合伙) 2023-05-02 CN claimed
CN-108689869-B (2E) Synthesis method of (E) -4-methylamino-2-butenoic acid hydrochloride 苏州市贝克生物科技有限公司 2020-12-08 CN claimed
US-20200131431-A1 CHEMICAL ADDITIVES AND SURFACTANT COMBINATIONS FOR FAVORABLE WETTABILITY ALTERATION AND IMPROVED HYDROCARBON RECOVERY FACTORS ALCHEMY SCIENCES INC (US) 2020-04-30 US claimed
US-10550107-B2 Process for the preparation of N-[4-[(3-chloro-4-fluoro phenyl) amino]-7-[[(3s-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethyl amino)-(2E)-2-butenamide (2Z)-2-butenedioate (1:2) and its polymorphs thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2020-02-04 US claimed
US-20180297989-A1 PROCESS FOR THE PREPARATION OF N-[4-[(3-CHLORO-4-FLUORO PHENYL) AMINO]-7-[[(3s-TETRAHYDRO-3-FURANYL]OXY]-6-QUINAZOLINYL]-4-(DIMETHYL AMINO)-(2E)-2-BUTENAMIDE (2Z)-2-BUTENEDIOATE (1 :2) AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-18 US claimed
EP-3089961-B1 PROCESS FOR THE MANUFACTURE OF (E)-4-N,N-DIALKYLAMINO CROTONIC ACID IN HX SALT FORM AND USE THEREOF FOR SYNTHESIS OF EGFR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-07-11 EP claimed
US-9242965-B2 Process for the manufacture of (E)-4-N,N-dialkylamino crotonic acid in HX salt form and use thereof for synthesis of EGFR tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US claimed
US-20150183764-A1 PROCESS FOR THE MANUFACTURE OF (E)-4-N,N-DIALKYLAMINO CROTONIC ACID IN HX SALT FORM AND USE THEREOF FOR SYNTHESIS OF EGFR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-02 US claimed
US-12630552-B2 Inhibitors of KRAS G12C BEONE MEDICINES I GMBH (CH) 2026-05-19 US disclosed
US-12612414-B2 Nitrile SUMO inhibitors and uses thereof CIT THERAPEUTICS, INC. (US) 2026-04-28 US disclosed
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
US-20260078135-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 ENLIVEN INC (US) 2026-03-19 US disclosed
US-12570607-B2 Compound as cyclin-dependent kinase 9 inhibitor and use thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2026-03-10 US disclosed
EP-4695268-A1 ANTIBACTERIAL COVALENT PEPTIDE INHIBITORS Université de Bordeaux (FR) 2026-02-18 EP disclosed
US-20040162442-A1 Synthesis of 4-(amino)-2-butenoyl chlorides and their use in the preparation of 3-cyano quinolines WYETH (US) 2004-08-19 US disclosed
WO-2004066919-A2 SYNTHESIS OF 4AMINO-2-BUTENOYL CHLORIDES AND THEIR USE IN THE PREPARATION OF 3-CYANO QUINOLINES WYETH (US) 2004-08-12 WO disclosed
EP-1414438-A1 ANTINEOPLASTIC COMBINATIONS Wyeth (US) 2004-05-06 EP disclosed
US-6617333-B2 Rapamycin 42-ester with 3-hydroxy-2-(hydroxymethyl)-2-methyl propionic acid (CCI-779) and 4-dimethylamino-but-2-enoic acid(4-(3-chloro-4-fluoro-phenylamino)-3-cyano-7-ethoxy-quinol in-6-yl)amide (EKB-569); synergistic; antitumor agents WYETH 2003-09-09 US disclosed
WO-2003020266-A1 ANTINEOPLASTIC COMBINATIONS WYETH (US) 2003-03-13 WO disclosed
US-20030050222-A1 Antineoplastic combinations WYETH 2003-03-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10550107-B2 Process for the preparation of N-[4-[(3-chloro-4-fluoro phenyl) amino]-7-[[(3s-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethyl amino)-(2E)-2-butenamide (2Z)-2-butenedioate (1:2) and its polymorphs thereof CYP4B1, CYP1B1, CYP2S1 GABRP 533/4885GABRD 261/4885GABRA1 605/4885
US-20180297989-A1 PROCESS FOR THE PREPARATION OF N-[4-[(3-CHLORO-4-FLUORO PHENYL) AMINO]-7-[[(3s-TETRAHYDRO-3-FURANYL]OXY]-6-QUINAZOLINYL]-4-(DIMETHYL AMINO)-(2E)-2-BUTENAMIDE (2Z)-2-BUTENEDIOATE (1 :2) AND ITS POLYMORPHS THEREOF CYP4B1, CYP1B1, CYP2S1 GABRP 533/4885GABRD 261/4885GABRA1 605/4885
US-20030050222-A1 Antineoplastic combinations MCL1, BCL9, ERAL1 GABRP 3383/4885GABRD 3527/4885GABRA1 2796/4885
US-12570607-B2 Compound as cyclin-dependent kinase 9 inhibitor and use thereof CDK9, CDK4, CDKL4 GABRP 4239/4885GABRD 4137/4885GABRA1 4403/4885
US-12612414-B2 Nitrile SUMO inhibitors and uses thereof SUMO1, SUMO3, PSMB6 GABRP 2243/4885GABRD 2984/4885GABRA1 2530/4885
US-20040162442-A1 Synthesis of 4-(amino)-2-butenoyl chlorides and their use in the preparation of 3-cyano quinolines HBS1L, ATXN2L, ASNS GABRP 3647/4885GABRD 4115/4885GABRA1 1898/4885
US-20150183764-A1 PROCESS FOR THE MANUFACTURE OF (E)-4-N,N-DIALKYLAMINO CROTONIC ACID IN HX SALT FORM AND USE THEREOF FOR SYNTHESIS OF EGFR TYROSINE KINASE INHIBITORS EGFR, ABL1, CSNK1A1 GABRP 3067/4885GABRD 2461/4885GABRA1 3108/4885
US-20260078135-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 ERBB2, BRCA1, ERBB3 GABRP 2023/4885GABRD 2108/4885GABRA1 2119/4885
US-12630552-B2 Inhibitors of KRAS G12C KRAS, NRAS, HRAS GABRP 1587/4885GABRD 862/4885GABRA1 1121/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.