Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21177798

CCC(CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1.Cl.Cl.Cl

nearest known ligand 0.98

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
CDK4 known ✓ P11802 4/20 0.98
CDK6 known ✓ Q00534 1/20 0.77
CACNA1B known ✓ Q00975 1/20 0.77
CACNA1C known ✓ Q13936 1/20 0.77
ALK known ✓ Q9UM73 1/20 0.77
CDK2 P24941 12/20 0.98
CCNK O75909 9/20 0.98
CDK12 Q9NYV4 9/20 0.98
CDK9 P50750 8/20 0.98
CCNE1 P24864 8/20 0.98
CDK1 P06493 8/20 0.98
CDK7 P50613 6/20 0.98
CCNA2 P20248 6/20 0.98
CDK5 Q00535 6/20 0.98
DYRK1A Q13627 6/20 0.98
CCNT1 O60563 5/20 0.98
CCNB1 P14635 5/20 0.98
CCND1 P24385 4/20 0.98
CCNH P51946 4/20 0.98
CDK5R1 Q15078 4/20 0.98

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
SCHEMBL9927174 0.99 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL13001905 0.99 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL29644968 0.99 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL13001902 0.99 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL3690866 0.95 CDK2 (0.92) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL20383014 0.90 CDK2 (0.83) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL19705772 0.90 CDK2 (0.83) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL23683123 0.90 CDK5 (0.82) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL17628573 0.90 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL13001898 0.90 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399602-A1 Method for Differentiation of Human Pluripotent Stem Cell Lines in Suspension Culture AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-24 US claimed
CN-112041428-A Method for differentiating human pluripotent stem cell lines in suspension culture 新加坡科技研究局 2020-12-04 CN claimed
EP-3740566-A1 METHOD FOR DIFFERENTIATION OF HUMAN PLURIPOTENT STEM CELL LINES IN SUSPENSION CULTURE Agency for Science, Technology and Research (SG) 2020-11-25 EP claimed
WO-2019143292-A1 METHOD FOR DIFFERENTIATION OF HUMAN PLURIPOTENT STEM CELL LINES IN SUSPENSION CULTURE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-07-25 WO claimed
US-20250188420-A1 MATURING AGENT HAVING BOTH OF ALK5 INHIBITORY ACTIVITY AND CDK8/19 INHIBITORY ACTIVITY Orizuru Therapeutics, Inc. (JP) 2025-06-12 US disclosed
EP-4516894-A1 MATURING AGENT HAVING BOTH OF ALK5 INHIBITORY ACTIVITY AND CDK8/19 INHIBITORY ACTIVITY Orizuru Therapeutics, Inc. (JP) 2025-03-05 EP disclosed
CN-119072542-A Maturation-promoting agent having ALK 5-inhibiting activity and CDK 8/19-inhibiting activity 千纸鹤治疗公司 2024-12-03 CN disclosed
CN-112041428-B Method for differentiating human pluripotent stem cell lines in suspension culture 新加坡科技研究局 2024-05-24 CN disclosed
WO-2023233339-A1 COMPOSITIONS AND METHODS FOR DIFFERENTIATING STEM CELLS INTO NK CELLS CRISPR THERAPEUTICS AG (CH) 2023-12-07 WO disclosed
EP-4271798-A1 COMPOSITIONS AND METHODS FOR DIFFERENTIATING STEM CELLS INTO NK CELLS CRISPR Therapeutics AG (CH) 2023-11-08 EP disclosed
WO-2023210578-A1 MATURING AGENT HAVING BOTH OF ALK5 INHIBITORY ACTIVITY AND CDK8/19 INHIBITORY ACTIVITY オリヅルセラピューティクス株式会社 2023-11-02 WO disclosed
US-20230092398-A1 COMPOSITIONS AND METHODS FOR DIFFERENTIATING STEM CELLS INTO NK CELLS CRISPR THERAPEUTICS AG (CH) 2023-03-23 US disclosed
WO-2022144632-A1 COMPOSITIONS AND METHODS FOR DIFFERENTIATING STEM CELLS INTO NK CELLS CRISPR THERAPEUTICS AG (CH) 2022-07-07 WO disclosed
US-20220204934-A1 COMPOSITIONS AND METHODS FOR DIFFERENTIATING STEM CELLS INTO NK CELLS CRISPR THERAPEUTICS AG (CH) 2022-06-30 US disclosed
US-20200399602-A1 Method for Differentiation of Human Pluripotent Stem Cell Lines in Suspension Culture AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-24 US disclosed
CN-112041428-A Method for differentiating human pluripotent stem cell lines in suspension culture 新加坡科技研究局 2020-12-04 CN disclosed
EP-3740566-A1 METHOD FOR DIFFERENTIATION OF HUMAN PLURIPOTENT STEM CELL LINES IN SUSPENSION CULTURE Agency for Science, Technology and Research (SG) 2020-11-25 EP disclosed
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER ARQULE, INC. 2020-05-21 US disclosed
WO-2019143292-A1 METHOD FOR DIFFERENTIATION OF HUMAN PLURIPOTENT STEM CELL LINES IN SUSPENSION CULTURE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-07-25 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-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER TP53, KRAS, VHL CDK4 6/4885CDK6 154/4885CACNA1B 3299/4885

“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.