Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4117075

Cl.N[C@H]1CC[C@H](Nc2nc(-n3cnc4cc(Cl)c(Cl)cc43)c3nc[nH]c3n2)CC1

nearest known ligand 0.42

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
FLT3 known ✓ P36888 4/20 0.35
PDGFRA known ✓ P16234 6/20 0.35
JAK2 known ✓ O60674 1/20 0.35
ROCK2 known ✓ O75116 1/20 0.35
PRKD3 known ✓ O94806 1/20 0.35
ABL1 known ✓ P00519 1/20 0.35
LCK known ✓ P06239 1/20 0.35
CSF1R known ✓ P07333 1/20 0.35
RET known ✓ P07949 1/20 0.35
PDGFRB known ✓ P09619 1/20 0.35
FGFR1 known ✓ P11362 1/20 0.35
KDR known ✓ P35968 1/20 0.35
PRKCQ known ✓ Q04759 1/20 0.35
ACVR1 known ✓ Q04771 1/20 0.35
ROCK1 known ✓ Q13464 1/20 0.35
NTRK3 known ✓ Q16288 1/20 0.35
MAPK14 known ✓ Q16539 1/20 0.35
NTRK2 known ✓ Q16620 1/20 0.35
ALK known ✓ Q9UM73 1/20 0.35
PRKCA known ✓ P17252 1/20 0.34

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 SCHEMBL4117078 1.00 IRAK4 (0.42) IRAK4MKNK1MKNK2FLT3CDK2
SCHEMBL4652773 0.99 IRAK4 (0.43) IRAK4MKNK1MKNK2FLT3CDK2
SCHEMBL4654969 0.99 IRAK4 (0.43) IRAK4MKNK1MKNK2FLT3CDK2
SCHEMBL4118724 0.87 CDK2 (0.35) IRAK4MKNK1MKNK2FLT3CDK2
SCHEMBL4118711 0.87 CDK2 (0.35) IRAK4MKNK1MKNK2FLT3CDK2
Hydrochloric Acid SCHEMBL4117071 0.84 MKNK1 (0.51) IRAK4MKNK1MKNK2CDK2CCNE1
Hydrochloric Acid SCHEMBL4117079 0.84 MKNK1 (0.51) IRAK4MKNK1MKNK2CDK2CCNE1
SCHEMBL4652609 0.83 MKNK1 (0.52) IRAK4MKNK1MKNK2CDK2CCNE1
SCHEMBL4652606 0.83 MKNK1 (0.52) IRAK4MKNK1MKNK2CDK2CCNE1
Hydrochloric Acid SCHEMBL4110829 0.83 IRAK4 (0.47) IRAK4CDK2PDGFRACCNE1FGFR1

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
US-7476670-B2 Purine derivatives, method for preparing, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2009-01-13 US claimed
EP-1597258-B1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-11-05 EP claimed
US-7476670-B2 Purine derivatives, method for preparing, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2009-01-13 US disclosed
US-20070185140-A1 Novel purine derivatives, method for preparing them, their application as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S. A. (FR) 2007-08-09 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-20070185140-A1 Novel purine derivatives, method for preparing them, their application as medicinal products, pharmaceutical compositions and novel use NR4A3, NR4A1, ADORA3 FLT3 825/4885PDGFRA 1422/4885JAK2 3573/4885

“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.