SCHEMBL3559847

SCHEMBL3559847

CC(C)C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NCc3ccccc3C(F)(F)F)C2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.49
CCNE1 P24864 18/20 0.49
GSK3B P49841 6/20 0.48

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
SCHEMBL3559845 1.00 CDK2 (0.49) CDK2CCNE1GSK3B
SCHEMBL3130737 0.87 CDK2 (0.47) CDK2CCNE1GSK3B
SCHEMBL3129840 0.87 CDK2 (0.47) CDK2CCNE1GSK3B
SCHEMBL3567389 0.83 CDK2 (0.48) CDK2CCNE1GSK3B
SCHEMBL3567391 0.83 CDK2 (0.48) CDK2CCNE1GSK3B
SCHEMBL3132424 0.81 CDK2 (0.51) CDK2CCNE1GSK3B
SCHEMBL3132419 0.81 CDK2 (0.51) CDK2CCNE1GSK3B
SCHEMBL3126992 0.80 CDK13 (0.49) CDK2CCNE1GSK3B
SCHEMBL3126989 0.80 CDK13 (0.49) CDK2CCNE1GSK3B
SCHEMBL3137443 0.80 CDK2 (0.45) CDK2CCNE1GSK3B

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-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

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 CDK2 58/4885CCNE1 420/4885GSK3B 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.