Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1738440

COc1ccc(-c2nccc3c(C)c(C)n(CCC(C)C)c23)cc1.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 15)

geneUniProtsupporting neighboursconfidence
CACNA1B known ✓ Q00975 1/20 0.37
PDE3B known ✓ Q13370 1/20 0.36
PDE3A known ✓ Q14432 1/20 0.36
DYRK1A Q13627 6/20 0.39
GRM2 Q14416 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL1736958 0.99 DYRK1A (0.39) DYRK1AGRM2MEN1KMT2ACACNA1B
Hydrochloric Acid SCHEMBL1738699 0.90 MEN1 (0.44) DYRK1AMEN1KMT2ACACNA1BPDE3B
Hydrochloric Acid SCHEMBL1736609 0.88 MCL1 (0.34) GRM2MEN1KMT2ACACNA1BNPC1
SCHEMBL1739113 0.88 MEN1 (0.45) DYRK1AMEN1KMT2ACACNA1BPDE3B
Hydrochloric Acid SCHEMBL1738606 0.87 DYRK1A (0.48) DYRK1AMEN1KMT2APDE3BPDE3A
SCHEMBL1739158 0.87 MCL1 (0.35) GRM2MEN1KMT2ACACNA1BNPC1
Hydrochloric Acid SCHEMBL1736647 0.86 TRPC5 (0.36) MEN1KMT2ACACNA1BPDE3BPDE3A
Hydrochloric Acid SCHEMBL1737719 0.86 TGFBR1 (0.36) KMT2ACACNA1BNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL1736625 0.86 ALOX15 (0.46) DYRK1AMEN1KMT2APDE3BPDE3A
SCHEMBL1738000 0.86 DYRK1A (0.49) DYRK1AMEN1KMT2APDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 US claimed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US claimed
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 US disclosed
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US disclosed
US-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2010-03-18 US disclosed
US-7666855-B2 2′-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2010-02-23 US disclosed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 US disclosed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP disclosed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 US disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
EP-1905778-A2 Novel 2'-C-methyl nucleoside derivatives Metabasis Therapeutics, Inc. (US) 2008-04-02 EP disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US disclosed
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-08-02 US disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-02-22 US disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed
US-20050182252-A1 Hepatitis C viral infection; 2'-C-beta-methyl-7-deazaadenosine; trans-4-(aryl)-2-(4-nitrophenoxy)-2-oxo-1,3,2-dioxaphosphorinanes METABASIS THERAPEUTICS, INC. 2005-08-18 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 (7 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-20090131370-A1 Novel Nucleoside Derivatives SLC29A1, SLC29A2, PNP CACNA1B 3322/4885PDE3B 799/4885PDE3A 789/4885
US-20050182252-A1 Hepatitis C viral infection; 2'-C-beta-methyl-7-deazaadenosine; trans-4-(aryl)-2-(4-nitrophenoxy)-2-oxo-1,3,2-dioxaphosphorinanes MTAP, NT5C3B, ADAR CACNA1B 4294/4885PDE3B 413/4885PDE3A 306/4885
US-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H CACNA1B 2947/4885PDE3B 440/4885PDE3A 359/4885
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives NSUN2, NT5C3B, MTAP CACNA1B 3451/4885PDE3B 713/4885PDE3A 865/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H CACNA1B 2947/4885PDE3B 440/4885PDE3A 359/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 CACNA1B 3298/4885PDE3B 293/4885PDE3A 369/4885
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives NSUN2, NT5C3B, MTAP CACNA1B 3315/4885PDE3B 796/4885PDE3A 972/4885

“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.