Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2769917

COCCn1c(C)c(C)c2cncc(OCc3ccc(F)cc3)c21.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
MAPK14 known ✓ Q16539 3/20 0.34
KDR known ✓ P35968 1/20 0.34
ACHE known ✓ P22303 1/20 0.33
MAOB known ✓ P27338 1/20 0.33
KIT known ✓ P10721 1/20 0.33
GRIN1 known ✓ Q05586 1/20 0.33
GRIN2B known ✓ Q13224 1/20 0.33
CYP1A2 P05177 6/20 0.44
CYP3A4 P08684 6/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL2773135 0.99 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL2769347 0.89 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2771093 0.88 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL2769085 0.86 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL2769353 0.86 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2769649 0.85 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2770144 0.85 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL2771198 0.83 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL2768011 0.83 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL2767952 0.83 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805177-B9 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-09-15 EP claimed
EP-1805177-B1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-04-28 EP claimed
US-7541366-B2 Pyrrolo[3,2-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2009-06-02 US claimed
US-20070249658-A1 Pyrrolo[3,2-C]Pyridine Deriatives and Processes for the Preparation Thereof YUHAN CORPORATION (KR) 2007-10-25 US claimed
EP-1805177-B9 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-09-15 EP disclosed
EP-1805177-B1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-04-28 EP disclosed
US-7541366-B2 Pyrrolo[3,2-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2009-06-02 US disclosed
US-20070249658-A1 Pyrrolo[3,2-C]Pyridine Deriatives and Processes for the Preparation Thereof YUHAN CORPORATION (KR) 2007-10-25 US disclosed
WO-2007001139-A1 A COMPOSITION FOR TREATING OR PREVENTING A CANCER COMPRISING PYRROLOPYRIDINE DERIVATIVES YUHAN CORPORATION (KR) 2007-01-04 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 (1 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-20070249658-A1 Pyrrolo[3,2-C]Pyridine Deriatives and Processes for the Preparation Thereof ATP6AP1, HPD, ATP6V1H MAPK14 3851/4885KDR 4661/4885ACHE 3502/4885

“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.