SCHEMBL3559398

SCHEMBL3559398

CC(C)C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NCc3ccccc3)C2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.43
CCNE1 P24864 11/20 0.41
GSK3B P49841 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 3/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL3559395 1.00 CDK2 (0.43) CDK2CCNE1GSK3BL3MBTL1BCHE
SCHEMBL3122446 0.87 CCNE1 (0.46) CDK2CCNE1GSK3B
SCHEMBL3122439 0.87 CCNE1 (0.46) CDK2CCNE1GSK3B
SCHEMBL3557894 0.83 ALDH1A1 (0.44) CDK2BCHE
SCHEMBL3557896 0.83 ALDH1A1 (0.44) CDK2BCHE
SCHEMBL3121405 0.81 BCHE (0.39) CDK2CCNE1GSK3BBCHEPARP1
SCHEMBL3121408 0.81 BCHE (0.39) CDK2CCNE1GSK3BBCHEPARP1
SCHEMBL3131648 0.80 ADORA3 (0.45) L3MBTL1BCHE
SCHEMBL3133082 0.80 ADORA3 (0.45) L3MBTL1BCHE
SCHEMBL3131664 0.80 ADORA3 (0.45) L3MBTL1BCHE

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 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.