SCHEMBL21403271

SCHEMBL21403271

O=C([O-])c1c(Cl)cc(CCc2ccccc2)n2ncnc12.[Na+]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
EGLN1 Q9GZT9 4/20 0.41
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
PDE1B Q01064 9/20 0.35
BBOX1 O75936 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NR3C2 P08235 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 SCHEMBL21403277 0.88 EGLN1 (0.44) EGLN1KDM5AKDM4CKDM5BPDE1B
SCHEMBL8520898 0.84 EGLN1 (0.42) EGLN1KDM5BPDE1B
SCHEMBL8529005 0.79 EGLN1 (0.47) EGLN1BBOX1ASPHKDM8
SCHEMBL30812491 0.78 EGLN1 (0.49) EGLN1KDM5AKDM4CKDM5BPDE1B
Enarodustat SCHEMBL21403278 0.76 EGLN1 (0.53) EGLN1BBOX1ASPHKDM8
SCHEMBL21416114 0.74 EGLN1 (0.36) EGLN1KDM5AKDM4CKDM5BPDE1B
Enarodustat SCHEMBL1481440 0.72 EGLN1 (0.64) EGLN1BBOX1ASPHKDM8
Enarodustat SCHEMBL21403279 0.71 EGLN1 (0.63) EGLN1BBOX1ASPHKDM8
Hydrochloric Acid SCHEMBL1482465 0.69 EGLN1 (0.47) EGLN1BBOX1ASPHKDM8
Hydrochloric Acid SCHEMBL1482548 0.69 EGLN1 (0.47) EGLN1BBOX1ASPHKDM8

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-11434238-B2 Method for producing triazolopyridine compound JAPAN TOBACCO INC. (JP) 2022-09-06 US disclosed
CN-110214139-B Process for producing triazolopyridine compound 日本烟草产业株式会社 2022-08-23 CN disclosed
US-20200339563-A1 METHOD FOR PRODUCING TRIAZOLOPYRIDINE COMPOUND SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
EP-3546459-A1 METHOD FOR PRODUCING TRIAZOLOPYRIDINE COMPOUND Japan Tobacco, Inc. (JP) 2019-10-02 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-20200339563-A1 METHOD FOR PRODUCING TRIAZOLOPYRIDINE COMPOUND EPOR, PAH, THPO EGLN1 13/4885KDM5A 44/4885KDM4C 515/4885
US-11434238-B2 Method for producing triazolopyridine compound EPOR, PAH, THPO EGLN1 13/4885KDM5A 44/4885KDM4C 515/4885

“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.