Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4070862

Cl.N#Cc1ccc2[nH]c(O)c(-c3ccc(S(=O)(=O)NCCN4CCCC4)cn3)c2c1

nearest known ligand 0.54

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
PARP1 known ✓ P09874 3/20 0.48
SRC known ✓ P12931 2/20 0.42
SIGMAR1 known ✓ Q99720 7/20 0.41
MET known ✓ P08581 3/20 0.40
GAA known ✓ P10253 1/20 0.37
JAK2 known ✓ O60674 1/20 0.36
JAK1 known ✓ P23458 1/20 0.36
DYRK3 O43781 1/20 0.54
CDK1 P06493 1/20 0.54
CDK2 P24941 1/20 0.54
GSK3B P49841 1/20 0.54
CDK7 P50613 1/20 0.54
CDK5 Q00535 1/20 0.54
CAMK2G Q13555 1/20 0.54
MARK2 Q7KZI7 1/20 0.54
PIM3 Q86V86 1/20 0.54
MINK1 Q8N4C8 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
SGK2 Q9HBY8 1/20 0.54

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
SCHEMBL4068395 0.99 DYRK3 (0.54) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL3201320 0.93 DYRK3 (0.45) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL6154123 0.86 PARP1 (0.46) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL4063997 0.84 CDK1 (0.51) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4066958 0.83 CDK1 (0.52) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4059910 0.82 CDK1 (0.48) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4067515 0.82 DYRK3 (0.54) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL3193026 0.79 DYRK3 (0.47) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL4060314 0.79 CDK2 (0.51) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL4066905 0.79 CDK7 (0.82) DYRK3CDK1CDK2GSK3BCDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 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 (2 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 PARP1 2774/4885SRC 3989/4885SIGMAR1 2027/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 PARP1 2201/4885SRC 3651/4885SIGMAR1 1364/4885

“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.