Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17748973

CC1(NC(=O)O)CCNCC1.Cl

nearest known ligand 0.39

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 13)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.33
GABRD known ✓ O14764 1/20 0.30
GABRA1 known ✓ P14867 1/20 0.30
GABRB1 known ✓ P18505 1/20 0.30
GABRA5 known ✓ P31644 1/20 0.30
GABRA3 known ✓ P34903 1/20 0.30
GABRA2 known ✓ P47869 1/20 0.30
GABRB2 known ✓ P47870 1/20 0.30
GABRA4 known ✓ P48169 1/20 0.30
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.33
FFAR3 O14843 1/20 0.32

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
SCHEMBL1710564 0.98 KDM4E (0.41) KDM4EKMT2AOPRM1CYP1A2FFAR3
SCHEMBL855487 0.85 KDM4E (0.34) KDM4EKMT2AFFAR3
SCHEMBL4594341 0.85 KDM4E (0.34) KDM4EKMT2AFFAR3
SCHEMBL3296868 0.85 KDM4E (0.34) KDM4EKMT2AFFAR3
Hydrochloric Acid SCHEMBL8417833 0.83 KDM4E (0.39) KDM4EKMT2ACYP1A2FFAR3GABRD
SCHEMBL2694749 0.81
SCHEMBL7392636 0.80 KDM4E (0.41) KDM4EKMT2ACYP1A2FFAR3GABRD
Hydrochloric Acid SCHEMBL28575747 0.79 FFAR3 (0.36) FFAR3
SCHEMBL27923687 0.78 KDM4E (0.39) KDM4EKMT2AOPRM1CYP1A2FFAR3
Hydrochloric Acid SCHEMBL14828866 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
EP-4144735-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2023-03-08 EP disclosed
US-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-01-05 US disclosed
EP-3755699-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2020-12-30 EP disclosed
US-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRÖDINGER, INC. 2020-12-17 US disclosed
US-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 US disclosed
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
WO-2019165073-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-08-29 WO disclosed
EP-3523302-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2019-08-14 EP disclosed
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-10144734-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-12-04 US disclosed
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 US disclosed
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3218376-A1 BROMODOMAIN INHIBITORS AND USES THEREOF Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 WO disclosed
CN-104350055-A Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY SCIENCE TECH & RES (SG) 2015-02-11 CN 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 (12 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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 OPRM1 3497/4885GABRD 2634/4885GABRA1 2358/4885
US-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 OPRM1 3497/4885GABRD 2634/4885GABRA1 2358/4885
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 OPRM1 3497/4885GABRD 2634/4885GABRA1 2358/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 OPRM1 3497/4885GABRD 2634/4885GABRA1 2358/4885
US-10144734-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 OPRM1 3497/4885GABRD 2634/4885GABRA1 2358/4885
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 OPRM1 3497/4885GABRD 2634/4885GABRA1 2358/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 OPRM1 3497/4885GABRD 2634/4885GABRA1 2358/4885
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 OPRM1 3497/4885GABRD 2634/4885GABRA1 2358/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 OPRM1 3497/4885GABRD 2634/4885GABRA1 2358/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 OPRM1 3497/4885GABRD 2634/4885GABRA1 2358/4885
US-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC OPRM1 4681/4885GABRD 3007/4885GABRA1 3465/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 OPRM1 4350/4885GABRD 1161/4885GABRA1 627/4885

“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.