Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3149256

Cl.Nc1ncc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc1C(=O)Nc1cccnc1

nearest known ligand 0.82

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 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.82
GSK3B P49841 9/20 0.72
CCNE2 O96020 8/20 0.72
CCNE1 P24864 8/20 0.72
CDK2 P24941 8/20 0.72
GSK3A P49840 1/20 0.59
PRKDC P78527 1/20 0.57

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
SCHEMBL6034644 0.99 ATR (0.84) ATRGSK3BCCNE2CCNE1CDK2
SCHEMBL6034152 0.98 ATR (0.84) ATRGSK3BCCNE2CCNE1CDK2
SCHEMBL6035289 0.94 ATR (0.75) ATRGSK3BCCNE2CCNE1CDK2
SCHEMBL6035757 0.92 ATR (0.72) ATRGSK3BCCNE2CCNE1CDK2
SCHEMBL6035157 0.92 ATR (0.72) ATRGSK3BCCNE2CCNE1CDK2
SCHEMBL2483419 0.90 ATR (1.00) ATRPRKDC
SCHEMBL2484223 0.90 ATR (1.00) ATRGSK3BCCNE2CCNE1CDK2
SCHEMBL6035822 0.88 GSK3B (0.72) ATRGSK3BCCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL6034611 0.86 GSK3B (0.72) ATRGSK3BCCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL6034107 0.85 GSK3B (0.97) ATRGSK3BCCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081660-A1 Novel Compounds Having Selective Inhibiting Effect at GSK3 BERG STEFAN 2010-04-01 US claimed
US-20060173014-A1 Nobel compounds having selective inhibiting effect at gsk3 ASTRAZENECA AB (SE) 2006-08-03 US claimed
EP-1575939-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 AstraZeneca AB (SE) 2005-09-21 EP claimed
WO-2004055006-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 ASTRAZENECA AB (SE) 2004-07-01 WO claimed
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 US claimed
EP-4222255-A1 METHOD FOR PRODUCING BETA-TRYPSIN Ipsen Biopharm Limited (GB) 2023-08-09 EP disclosed
US-20100081660-A1 Novel Compounds Having Selective Inhibiting Effect at GSK3 BERG STEFAN 2010-04-01 US disclosed
US-7595319-B2 Useful for the prevention and/or treatment of cognitive disorders; 3-Amino-N-(3-nitrophenyl)-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide, for example ASTRAZENECA AB (SE) 2009-09-29 US disclosed
US-20060173014-A1 Nobel compounds having selective inhibiting effect at gsk3 ASTRAZENECA AB (SE) 2006-08-03 US disclosed
EP-0943008-B1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-11-09 EP disclosed
EP-1575939-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004055006-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3 ASTRAZENECA AB (SE) 2004-07-01 WO disclosed
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 US disclosed
US-6355460-B1 DETECTING ENZYME INHIBITORS; INCUBATE ENZYME WITH MODULATOR, MONITOR SAMPLE FOR REDUCTION IN ENZYME ACTIVITY, REDUCTION IN ENZYME ACTIVITY INDICATES MODULATOR AXYS PHARMACEUTICALS, INC. 2002-03-12 US disclosed
US-6255091-B1 ASSAYING FOR ENHANCED INHIBITION OF SERINE PROTEASE IN A MEDIUM THAT IS DEVOID OF DISSACIATED DIVALENT METAL CATIONS AXYS PHARMACEUTICALS, INC. 2001-07-03 US disclosed
EP-0943008-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1998022619-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-05-28 WO disclosed
EP-0048989-B1 PROCESS FOR DETERMINING INHIBITOR-ENZYME COMPLEXES CORNELL RESEARCH FOUNDATION, INC. (US) 1985-09-04 EP 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-20100081660-A1 Novel Compounds Having Selective Inhibiting Effect at GSK3 GSK3B, GSK3A, GSKIP ATR 812/4885GSK3B 1/4885CCNE2 1484/4885
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs PAICS, ABCB1, ABCG2 ATR 3768/4885GSK3B 2104/4885CCNE2 3367/4885
US-20060173014-A1 Nobel compounds having selective inhibiting effect at gsk3 GSK3B, GSK3A, GSKIP ATR 721/4885GSK3B 1/4885CCNE2 1781/4885

“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.