Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9097

COc1cc2ncnc(Cl)c2cc1OC(C)=O.Cl

nearest known ligand 0.62

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 18)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 6/20 0.50
ACHE known ✓ P22303 1/20 0.47
KDR known ✓ P35968 7/20 0.46
CSF1R known ✓ P07333 1/20 0.45
PDGFRB known ✓ P09619 2/20 0.45
PDGFRA known ✓ P16234 1/20 0.44
FLT1 known ✓ P17948 1/20 0.44
LCK known ✓ P06239 1/20 0.43
RET known ✓ P07949 1/20 0.43
ENPP1 P22413 3/20 0.62
PDE10A Q9Y233 2/20 0.50
BACE1 P56817 1/20 0.47
TNFSF11 O14788 1/20 0.46
PDE1B Q01064 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KIF5B P33176 1/20 0.43

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
SCHEMBL3427630 0.99 ENPP1 (0.63) ENPP1EGFRPDE10AACHEBACE1
SCHEMBL8777 0.99 ENPP1 (0.63) ENPP1EGFRPDE10AACHEBACE1
SCHEMBL1999978 0.93 ENPP1 (0.54) ENPP1EGFRPDE10AACHEBACE1
SCHEMBL3766549 0.89 ENPP1 (0.52) ENPP1EGFRPDE10AACHEBACE1
Hydrochloric Acid SCHEMBL3526531 0.87 ENPP1 (0.79) ENPP1EGFRKDRCSF1RPDGFRB
SCHEMBL364049 0.85 ENPP1 (0.81) ENPP1EGFRKDRCSF1RFLT1
SCHEMBL29359187 0.85 ENPP1 (0.81) ENPP1EGFRKDRCSF1RFLT1
SCHEMBL3239272 0.85 ENPP1 (0.68) ENPP1EGFRPDGFRB
Hydrochloric Acid SCHEMBL28016254 0.84 PDE10A (0.51) ENPP1EGFRPDE10AACHEBACE1
SCHEMBL17967514 0.84 ENPP1 (0.59) ENPP1EGFRPDE10AACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021212536-A1 METHOD FOR PREPARING 4-(3-CHLORO-4-FLUOROANILINE)-6-ACETOXY-7-METHOXY QUINAZOLINE HYDROCHLORIDE 江苏天士力帝益药业有限公司 (CN) 2021-10-28 WO claimed
CN-113549019-A Preparation method of 4- (3-chloro-4-fluoroaniline) -6-acetoxyl-7-methoxyquinazoline hydrochloride 江苏天士力帝益药业有限公司 2021-10-26 CN claimed
CN-105384699-B A kind of novel quinazoline quinoline derivant LU1501 and its preparation method and application 中国人民解放军南京军区南京总医院 2016-10-12 CN claimed
US-20230106731-A1 INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES SPECTRUM PHARMACEUTICALS, INC. (US) 2023-04-06 US disclosed
WO-2021212536-A1 METHOD FOR PREPARING 4-(3-CHLORO-4-FLUOROANILINE)-6-ACETOXY-7-METHOXY QUINAZOLINE HYDROCHLORIDE 江苏天士力帝益药业有限公司 (CN) 2021-10-28 WO disclosed
WO-2021212536-A1 METHOD FOR PREPARING 4-(3-CHLORO-4-FLUOROANILINE)-6-ACETOXY-7-METHOXY QUINAZOLINE HYDROCHLORIDE 江苏天士力帝益药业有限公司 (CN) 2021-10-28 WO disclosed
CN-113549019-A Preparation method of 4- (3-chloro-4-fluoroaniline) -6-acetoxyl-7-methoxyquinazoline hydrochloride 江苏天士力帝益药业有限公司 2021-10-26 CN disclosed
CN-113549019-A Preparation method of 4- (3-chloro-4-fluoroaniline) -6-acetoxyl-7-methoxyquinazoline hydrochloride 江苏天士力帝益药业有限公司 2021-10-26 CN disclosed
EP-3609875-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF N-(3-ETHYNYLPHENYL)-7-METHOXY-6-(3-MORPHOLINOPROPOXY) QUINAZOLIN -4-AMINE DIHYDROCHLORIDE NATCO PHARMA LTD (IN) 2021-10-20 EP disclosed
US-11091470-B2 Process for the preparation of N-(3-ethynylphenyl)-7-methoxy-6-(3-morpholinopropoxy) quinazolin-4-amine dihydrochloride NATCO PHARMA LIMITED (IN) 2021-08-17 US disclosed
US-20200331899-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF N-(3-ETHYNYLPHENYL)-7-METHOXY-6-(3- MORPHOLINOPROPOXY) QUINAZOLIN -4-AMINE DIHYDROCHLORIDE NATCO PHARMA LIMITED (IN) 2020-10-22 US disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
EP-0823900-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-12-27 EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
US-5866572-A RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES, TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER. ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0880507-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
US-5770599-A RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) ZENECA LIMITED (GB) 1998-06-23 US disclosed
EP-0823900-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1997030034-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ZENECA LIMITED (GB) 1997-08-21 WO disclosed
WO-1996033980-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 WO 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 (3 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-20230106731-A1 INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES ERBB2, EGFR, ERBB3 EGFR 2/4885ACHE 4802/4885KDR 31/4885
US-11091470-B2 Process for the preparation of N-(3-ethynylphenyl)-7-methoxy-6-(3-morpholinopropoxy) quinazolin-4-amine dihydrochloride MAP7, NQO2, ABL1 EGFR 2563/4885ACHE 1340/4885KDR 1760/4885
US-20200331899-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF N-(3-ETHYNYLPHENYL)-7-METHOXY-6-(3- MORPHOLINOPROPOXY) QUINAZOLIN -4-AMINE DIHYDROCHLORIDE PAH, NQO2, MAP7 EGFR 2948/4885ACHE 1134/4885KDR 2909/4885

“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.