Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4688013

CN(CC1OCCO1)C(=O)c1cn2c(nc3ccc(CN[C@@H]4CCOC4)cc32)s1.Cl.Cl

nearest known ligand 0.46

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 18)

geneUniProtsupporting neighboursconfidence
PDGFRB known ✓ P09619 1/20 0.32
KDR known ✓ P35968 1/20 0.32
PIK3CD known ✓ O00329 1/20 0.31
PIK3CA known ✓ P42336 1/20 0.31
MET known ✓ P08581 1/20 0.31
ITK known ✓ Q08881 1/20 0.30
S1PR3 known ✓ Q99500 1/20 0.30
GRM1 Q13255 3/20 0.46
METTL3 Q86U44 2/20 0.37
KMT2A Q03164 1/20 0.32
PIK3R2 O00459 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3R5 Q8WYR1 1/20 0.31
PIK3R3 Q92569 1/20 0.31
NAMPT P43490 1/20 0.30
INSR P06213 1/20 0.30
ACSS2 Q9NR19 1/20 0.30

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
Hydrochloric Acid SCHEMBL4688017 0.94 GRM1 (0.39) GRM1METTL3PDGFRBKDRKMT2A
SCHEMBL4690792 0.93 GRM1 (0.44) GRM1METTL3METNAMPTINSR
SCHEMBL4690796 0.87 GRM1 (0.38) GRM1METTL3NAMPTINSRITK
Hydrochloric Acid SCHEMBL4693198 0.86 GRM1 (0.45) GRM1METTL3NAMPTACSS2
Hydrochloric Acid SCHEMBL4691352 0.85 GRM1 (0.46) GRM1NAMPT
Hydrochloric Acid SCHEMBL4692127 0.84 GRM1 (0.47) GRM1METTL3INSRITKACSS2
SCHEMBL4694708 0.83 GRM1 (0.49) GRM1PDGFRBPIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL4691990 0.82 GRM1 (0.45) GRM1METTL3KMT2A
Hydrochloric Acid SCHEMBL4691062 0.81 GRM1 (0.41) GRM1METTL3KMT2ANAMPTINSR
Hydrochloric Acid SCHEMBL4691070 0.81 GRM1 (0.41) GRM1METTL3KMT2ANAMPTINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486501-B1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-09-10 EP disclosed
US-7250429-B2 Aminomethyl-substituted thiazolobenzimidazole compounds ASTELLAS PHARMA INC. (JP) 2007-07-31 US disclosed
US-20050148642-A1 Aminomethyl-substituted thiazolobenzimidazole derivative ASTELLAS PHARMA INC. (JP) 2005-07-07 US disclosed
EP-1486501-A1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-12-15 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 (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-20050148642-A1 Aminomethyl-substituted thiazolobenzimidazole derivative GRM1, GRIN1, GRM3 PDGFRB 585/4885KDR 569/4885PIK3CD 2674/4885

“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.