SCHEMBL3565224

SCHEMBL3565224

CCC(CC)CNC(=O)OC1CC(c2cc(NC(=O)C(C)C)n[nH]2)C1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.58
CDK2 P24941 20/20 0.58
GSK3B P49841 11/20 0.58

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
SCHEMBL3565225 1.00 CCNE1 (0.58) CCNE1CDK2GSK3B
SCHEMBL3126989 0.82 CDK13 (0.49) CCNE1CDK2GSK3B
SCHEMBL3126992 0.82 CDK13 (0.49) CCNE1CDK2GSK3B
SCHEMBL3132419 0.81 CDK2 (0.51) CCNE1CDK2GSK3B
SCHEMBL3567389 0.81 CDK2 (0.48) CCNE1CDK2GSK3B
SCHEMBL3567391 0.81 CDK2 (0.48) CCNE1CDK2GSK3B
SCHEMBL3132424 0.81 CDK2 (0.51) CCNE1CDK2GSK3B
SCHEMBL3559847 0.79 CDK2 (0.49) CCNE1CDK2GSK3B
SCHEMBL3559845 0.79 CDK2 (0.49) CCNE1CDK2GSK3B
SCHEMBL3137443 0.78 CDK2 (0.45) CCNE1CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US claimed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US claimed
JP-2007512315-A 2007-05-17 JP claimed
EP-1689721-A1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS Pfizer Products Inc. (US) 2006-08-16 EP claimed
WO-2005051919-A1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-06-09 WO claimed

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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP CCNE1 420/4885CDK2 58/4885GSK3B 1/4885

“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.