SCHEMBL5029967

SCHEMBL5029967

COc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(/C=C/c3ccc(C(C)=O)cc3)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.33
APP P05067 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
KDR P35968 6/20 0.31
CHEK1 O14757 3/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
ABL1 P00519 2/20 0.31
BCR P11274 2/20 0.31
BMPR1B O00238 1/20 0.31
PLK4 O00444 1/20 0.31
STK25 O00506 1/20 0.31
CIT O14578 1/20 0.31
RIOK3 O14730 1/20 0.31
IKBKB O14920 1/20 0.31
AURKA O14965 1/20 0.31
GAK O14976 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
SCHEMBL13927723 1.00 PAK4 (0.33) PAK4APPTAS1R3TAS1R1KDR
SCHEMBL5031212 0.91 CNR1 (0.37) PAK4TAS1R3TAS1R1KDRCHEK1
SCHEMBL5030069 0.90 KCNA3 (0.36) KDRCHEK1CCNA2CDK2AURKA
SCHEMBL5030025 0.90 CHEK1 (0.35) PAK4KDRCHEK1CCNA2CDK2
SCHEMBL6427759 0.90 LMNA (0.35) ROCK2ROCK1PDPK1
SCHEMBL5031136 0.90 LMNA (0.35) ROCK2ROCK1PDPK1
SCHEMBL13927706 0.90 ROCK2 (0.38) KDRCHEK1ROCK2ROCK1AURKA
SCHEMBL5098700 0.90 ROCK2 (0.38) KDRCHEK1ROCK2ROCK1AURKA
SCHEMBL5032382 0.90 CHEK1 (0.37) PAK4KDRCHEK1ROCK2ROCK1
SCHEMBL13927717 0.90 CHEK1 (0.37) PAK4KDRCHEK1ROCK2ROCK1

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 PAK4 1561/4885APP 4411/4885TAS1R3 2659/4885

“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.