SCHEMBL3124512

SCHEMBL3124512

CN(C(=O)OC1CC(c2cc(NC(=O)C(C)(C)c3ccccn3)n[nH]2)C1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.48
CCNE1 P24864 16/20 0.48
GSK3B P49841 8/20 0.48
CCNA2 P20248 3/20 0.41
CCNA1 P78396 3/20 0.41

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
SCHEMBL3131592 0.87 CDK2 (0.46) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL3131586 0.87 CDK2 (0.46) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL3125243 0.84 CDK2 (0.53) CDK2CCNE1GSK3B
SCHEMBL3125245 0.84 CDK2 (0.53) CDK2CCNE1GSK3B
SCHEMBL3124519 0.83 CCNE1 (0.53) CDK2CCNE1GSK3B
SCHEMBL3122489 0.83 CDK2 (0.51) CDK2CCNE1GSK3B
SCHEMBL3122495 0.83 CDK2 (0.51) CDK2CCNE1GSK3B
SCHEMBL3127323 0.80 PTGER1 (0.37) CDK2CCNE1GSK3B
SCHEMBL3254151 0.79 CDK2 (0.45) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL3127039 0.77 NPY2R (0.36) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689721-B1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2010-07-14 EP disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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-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.