Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4983992

CCn1c(NC)nc2cc(CNc3ccnc(Nc4ccc(CS(N)(=O)=O)cc4)n3)ccc21.Cl

nearest known ligand 0.39

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
▸ CSF1R known ✓ P07333 3/20 0.39
▸ GAA known ✓ P10253 1/20 0.34
▸ CDK4 known ✓ P11802 1/20 0.34
▸ HRH3 known ✓ Q9Y5N1 1/20 0.34
▸ CA2 known ✓ P00918 1/20 0.34
▸ TYK2 P29597 2/20 0.39
▸ ULK2 Q8IYT8 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ TRPC5 Q9UL62 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CDK9 P50750 1/20 0.35

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
SCHEMBL4978717 0.99 CSF1R (0.39) CSF1RTYK2ULK2TBK1RAF1
Hydrochloric Acid SCHEMBL6621527 0.93 PLK4 (0.45) CSF1RTYK2ULK2TBK1PLK4
SCHEMBL4980767 0.92 PLK4 (0.46) CSF1RTYK2ULK2TBK1PLK4
Hydrochloric Acid SCHEMBL4984040 0.84 PLK4 (0.47) CSF1RTYK2ULK2TBK1PLK4
Hydrochloric Acid SCHEMBL4982300 0.83 NPC1 (0.45) CSF1RTYK2ULK2TBK1PLK4
Hydrochloric Acid SCHEMBL4981900 0.83 KCNH3 (0.41) CSF1RTYK2ULK2TBK1PLK4
SCHEMBL4982070 0.83 PLK4 (0.47) CSF1RTYK2ULK2TBK1PLK4
SCHEMBL4981708 0.82 MEN1 (0.41) CSF1RTYK2ULK2TBK1RAF1
SCHEMBL4977036 0.82 NPC1 (0.46) CSF1RTYK2ULK2TBK1PLK4
SCHEMBL4978232 0.82 CSF1R (0.41) CSF1RTYK2ULK2TBK1PLK4

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-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 — — US disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 — — US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 — — EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 — — 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 (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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR CSF1R 501/4885GAA 2752/4885CDK4 35/4885

“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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