SCHEMBL31399400

SCHEMBL31399400

Oc1nccc(-c2cn[nH]c2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
INCENP Q9NQS7 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
FYN P06241 1/20 0.43
MTOR P42345 1/20 0.41
MAP3K14 Q99558 3/20 0.40
LRRK2 Q5S007 1/20 0.39
AKT2 P31751 6/20 0.39
AKT1 P31749 3/20 0.39
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
PRKACA P17612 2/20 0.38
AKT3 Q9Y243 2/20 0.38
RPS6KA3 P51812 2/20 0.38
RPS6KA5 O75582 1/20 0.38
RPS6KA4 O75676 1/20 0.38
LATS1 O95835 1/20 0.38
PRKACB P22694 1/20 0.38
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL30608796 0.76 AKT1 (0.46) AURKAAURKBINCENPTPX2FYN
SCHEMBL3301267 0.73 BACE1 (0.41) AURKAAURKBLRRK2ROCK1PRKACA
SCHEMBL22736242 0.72 AURKA (0.51) AURKAAURKBINCENPTPX2FYN
SCHEMBL30063761 0.71 AKT2 (0.45) AURKAAURKBINCENPTPX2FYN
SCHEMBL30291111 0.69 AKT1 (0.41) AURKAAURKBINCENPTPX2AKT2
SCHEMBL19028096 0.69 AKT1 (0.46) AURKAAURKBINCENPTPX2FYN
SCHEMBL29490387 0.67 AKT1 (0.42) AURKAAURKBINCENPTPX2FYN
SCHEMBL23276953 0.67 IDO1 (0.57) AURKAAURKBINCENPTPX2AKT2
SCHEMBL30961311 0.67 AKT1 (0.38) AURKAAURKBINCENPTPX2FYN
SCHEMBL38651397 0.67 MAPK1 (0.37) AURKAAURKBINCENPTPX2FYN

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 AURKA 676/4885AURKB 896/4885INCENP 2261/4885

“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.