SCHEMBL25829653

SCHEMBL25829653

COc1nccc2ccc(F)c(C)c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ LRRK2 Q5S007 4/20 0.33
▸ APLNR P35414 1/20 0.33
▸ ABCC1 P33527 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ HIPK2 Q9H2X6 1/20 0.32
▸ PLAU P00749 1/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL20687487 0.82 TRPA1 (0.36) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21050753 0.81 TRPA1 (0.38) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18544267 0.81 TRPA1 (0.38) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22972330 0.77 TRPA1 (0.37) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21563189 0.72 CSNK2A1 (0.36) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26694677 0.72 TRPA1 (0.32) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29517451 0.69 TRPA1 (0.39) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27882381 0.69 TRPA1 (0.39) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2240307 0.68 TRPA1 (0.54) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12336177 0.68 KCNA5 (0.51) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 — — US 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-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 TRPA1 2960/4885CYP1A2 1787/4885CYP3A4 434/4885

“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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