SCHEMBL5032382

SCHEMBL5032382

COc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(/C=C/c3cccc(C(C)=O)c3)c12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
KDR P35968 13/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FGFR1 P11362 4/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
PAK4 O96013 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
SCHEMBL13927717 1.00 CHEK1 (0.37) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL5029967 0.90 PAK4 (0.33) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL13927723 0.90 PAK4 (0.33) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL5031154 0.89 TRPV3 (0.41) CHEK1KMT2AAURKAAURKBROCK2
SCHEMBL13927706 0.89 ROCK2 (0.38) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL5098700 0.89 ROCK2 (0.38) CHEK1KDRFGFR1AURKAAURKB
SCHEMBL5030047 0.88 CHEK1 (0.37) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL13927719 0.87 CHEK1 (0.38) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL5031209 0.87 CHEK1 (0.38) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL13927740 0.85 CYP1A1 (0.39) MEN1KMT2AROCK2ROCK1

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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885KDR 1044/4885ALDH1A1 2713/4885

“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.