SCHEMBL31399397

SCHEMBL31399397

Cc1c(-c2cn[nH]c2)nc[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.49
PDPK1 O15530 2/20 0.40
KDM5B Q9UGL1 1/20 0.40
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
CDC7 O00311 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
ROCK1 Q13464 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KCNH2 Q12809 1/20 0.35
MTOR P42345 1/20 0.35
LMNA P02545 2/20 0.35
ADORA2A P29274 2/20 0.35
TSHR P16473 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 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
SCHEMBL17016669 0.71 PDPK1 (0.55) PDPK1KDM5BRAB9A
SCHEMBL30719412 0.69 ACVR1 (0.41) ACVR1PDPK1KDM5BAKT1AKT2
SCHEMBL21193333 0.66 KCNH2 (0.41) KDM5BAKT1AKT2ALDH1A1LRRK2
SCHEMBL23739421 0.66 ACVR1 (0.55) ACVR1PDPK1AKT1AKT2CDC7
SCHEMBL8404474 0.65
SCHEMBL20180773 0.65 PDPK1 (0.43) PDPK1ALDH1A1KDM4ELMNAPIM1
SCHEMBL17151214 0.65 PDPK1 (0.44) ACVR1PDPK1AKT1AKT2CDK2
SCHEMBL26242523 0.65 KCNH2 (0.40) KDM5BAKT1AKT2CDC7CCNE1
Hydrochloric Acid SCHEMBL30557166 0.64 ACVR1 (0.54) ACVR1PDPK1AKT1AKT2CDC7
SCHEMBL3740850 0.63 AKT2 (0.70) ACVR1AKT1AKT2KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270198-A1 PYRIDONE COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC 2025-08-28 US disclosed
CN-119451948-A Pyridone compounds as TRPA1 inhibitors D·E·萧尔研究有限责任公司 2025-02-14 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-20250270198-A1 PYRIDONE COMPOUNDS AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV6 ACVR1 2073/4885PDPK1 1249/4885KDM5B 2144/4885

“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.