Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3485627

CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1.Cl.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
RET known ✓ P07949 2/20 1.00
ITK known ✓ Q08881 2/20 1.00
ROCK1 known ✓ Q13464 2/20 1.00
PDGFRB known ✓ P09619 1/20 0.47
KIT known ✓ P10721 1/20 0.47
PDGFRA known ✓ P16234 1/20 0.47
HRH1 known ✓ P35367 1/20 0.47
FLT3 known ✓ P36888 1/20 0.47
MAP3K5 Q99683 15/20 1.00
MAP3K6 O95382 2/20 1.00
CDK2 P24941 2/20 1.00
GSK3B P49841 2/20 1.00
MERTK Q12866 2/20 1.00
PRKAA1 Q13131 2/20 1.00
CLK2 P49760 3/20 0.48
CLK1 P49759 2/20 0.48
CLK3 P49761 1/20 0.47
DYRK1A Q13627 1/20 0.47
SIK2 Q9H0K1 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL3486701 0.99 MAP3K5 (1.00) MAP3K5MAP3K6RETCDK2GSK3B
SCHEMBL3486586 0.95 MAP3K5 (0.92) MAP3K5MAP3K6RETCDK2GSK3B
Hydrochloric Acid SCHEMBL3486523 0.93 MAP3K5 (0.98) MAP3K5MAP3K6RETCDK2GSK3B
SCHEMBL3486598 0.92 MAP3K5 (1.00) MAP3K5MAP3K6RETCDK2GSK3B
Hydrochloric Acid SCHEMBL3486486 0.90 MAP3K5 (0.98) MAP3K5MAP3K6RETCDK2GSK3B
SCHEMBL3485441 0.90 MAP3K5 (0.83) MAP3K5MAP3K6RETCDK2GSK3B
SCHEMBL3486464 0.89 MAP3K5 (1.00) MAP3K5MAP3K6RETCDK2GSK3B
SCHEMBL3486875 0.88 MAP3K5 (0.80) MAP3K5MAP3K6RETCDK2GSK3B
SCHEMBL3486241 0.88 MAP3K5 (0.84) MAP3K5MAP3K6RETCDK2GSK3B
Hydrochloric Acid SCHEMBL3486086 0.88 MAP3K5 (0.78) MAP3K5MAP3K6RETCDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200397798-A1 COMBINATION THERAPIES WITH FARNESOID X RECEPTOR (FXR) MODULATORS AKARNA THERAPEUTICS, LTD. (GB) 2020-12-24 US claimed
US-20200390858-A1 Combination Therapy for Modulating Bile Acid Homeostasis and Treatment of Bile Acid Disorders and Diseases NGM BIOPHARMACEUTICALS, INC. 2020-12-17 US claimed
CN-113045567-B Phosphatase recruitment chimera (PHORCs) compound based on protein phosphatase 5, preparation method and medical application thereof 中国药科大学 2023-01-31 CN disclosed
CN-113045567-B Phosphatase recruitment chimera (PHORCs) compound based on protein phosphatase 5, preparation method and medical application thereof 中国药科大学 2023-01-31 CN disclosed
US-20200397798-A1 COMBINATION THERAPIES WITH FARNESOID X RECEPTOR (FXR) MODULATORS AKARNA THERAPEUTICS, LTD. (GB) 2020-12-24 US disclosed
US-20200390858-A1 Combination Therapy for Modulating Bile Acid Homeostasis and Treatment of Bile Acid Disorders and Diseases NGM BIOPHARMACEUTICALS, INC. 2020-12-17 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 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 (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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 RET 1447/4885ITK 3484/4885ROCK1 9/4885
US-20200397798-A1 COMBINATION THERAPIES WITH FARNESOID X RECEPTOR (FXR) MODULATORS DPP4, TLR1, SLC5A1 RET 1761/4885ITK 4276/4885ROCK1 706/4885

“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.