Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3724811

Cl.O=C(CC1CCCN1)N1CCN(c2c(C3CC3)cnc3[nH]nc(C=Cc4cccnc4)c23)CC1

nearest known ligand 0.37

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 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD known ✓ O00329 1/20 0.35
▸ PIK3CA known ✓ P42336 1/20 0.35
▸ HRH2 known ✓ P25021 1/20 0.35
▸ HRH1 known ✓ P35367 1/20 0.35
▸ CACNA2D1 known ✓ P54289 1/20 0.32
▸ CACNA1B known ✓ Q00975 1/20 0.32
▸ CACNB1 known ✓ Q02641 1/20 0.32
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ CLK2 P49760 6/20 0.33
▸ CLK3 P49761 6/20 0.33
▸ DYRK1A Q13627 6/20 0.33
▸ C3AR1 Q16581 1/20 0.32
▸ CFD P00746 2/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ NAMPT P43490 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HSD17B10 Q99714 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 SCHEMBL3724813 1.00 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
Hydrochloric Acid SCHEMBL3724806 1.00 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
SCHEMBL11961061 0.99 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
Hydrochloric Acid SCHEMBL3736797 0.90 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
Hydrochloric Acid SCHEMBL3736790 0.90 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
Hydrochloric Acid SCHEMBL3736795 0.90 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
Hydrochloric Acid SCHEMBL3736793 0.90 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
SCHEMBL11961057 0.89 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
Hydrochloric Acid SCHEMBL3732874 0.81 CLK2 (0.42) CLK2CLK3DYRK1AALDH1A1
Hydrochloric Acid SCHEMBL3732878 0.81 CLK2 (0.42) CLK2CLK3DYRK1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 — — US disclosed
EP-2242757-B1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-08-01 — — EP disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 — — 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 (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-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B PIK3CD 407/4885PIK3CA 361/4885HRH2 1780/4885

“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.

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