Hydrochloric Acid

Hydrochloric Acid

SCHEMBL26679917

Cl.Cl.O=c1ccc2c(Nc3ccc(CN[SH](=O)=O)cc3)ccnc2[nH]1

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
▸ ERBB2 known ✓ P04626 1/20 0.35
▸ PTGS1 known ✓ P23219 1/20 0.34
▸ PTGS2 known ✓ P35354 1/20 0.34
▸ NTRK1 known ✓ P04629 1/20 0.33
▸ RET known ✓ P07949 1/20 0.33
▸ FGFR1 known ✓ P11362 1/20 0.33
▸ FLT4 known ✓ P35916 1/20 0.33
▸ KDR known ✓ P35968 1/20 0.32
▸ PDE3B known ✓ Q13370 2/20 0.32
▸ PDE3A known ✓ Q14432 2/20 0.32
▸ AURKA O14965 11/20 0.39
▸ AURKB Q96GD4 6/20 0.37
▸ ENPP1 P22413 2/20 0.36
▸ MAPKAPK2 P49137 1/20 0.34
▸ MAPK13 O15264 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ SIK1 P57059 1/20 0.33
▸ TNK2 Q07912 1/20 0.33

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 SCHEMBL26679866 0.86 PTK6 (0.40) AURKAERBB2PTGS1PTK6
Hydrochloric Acid SCHEMBL26679889 0.84 AURKA (0.43) AURKAAURKBERBB2MAPK13CHEK2
Hydrochloric Acid SCHEMBL26679932 0.83 EGFR (0.33) ENPP1PTK6
Hydrochloric Acid SCHEMBL26679918 0.83 PDGFRB (0.33) ENPP1FGFR1PTK6KDR
Hydrochloric Acid SCHEMBL29691552 0.83 AURKA (0.42) AURKAAURKBENPP1ERBB2MAPK13
Hydrochloric Acid SCHEMBL26679864 0.83 AURKA (0.42) AURKAAURKBENPP1ERBB2MAPK13
Hydrochloric Acid SCHEMBL26679807 0.82 CYP2D6 (0.45) AURKAAURKBERBB2PTGS2PTK6
Hydrochloric Acid SCHEMBL29691666 0.81 AURKA (0.38) AURKAAURKBENPP1ERBB2KDR
Hydrochloric Acid SCHEMBL29691605 0.81 ENPP1 (0.39) AURKAAURKBENPP1ERBB2
Hydrochloric Acid SCHEMBL26679841 0.81 AURKA (0.38) AURKAAURKBENPP1ERBB2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140944-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2024-05-02 — — US claimed
EP-4276100-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-11-15 — — EP claimed
CN-116669726-A Novel naphthyridinone derivatives having inhibitory activity against exonuclease-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-08-29 — — CN claimed
US-20240140944-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2024-05-02 — — US disclosed
EP-4276100-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-11-15 — — EP disclosed
CN-116669726-A Novel naphthyridinone derivatives having inhibitory activity against exonuclease-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-08-29 — — CN 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-20240140944-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF ENPP1, ENPP3, ENTPD5 ERBB2 4832/4885PTGS1 667/4885PTGS2 2109/4885

“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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