SCHEMBL2490129

SCHEMBL2490129

CCOC(=O)N1CCC[C@@H](Nc2nc(-c3ccncn3)cc(=O)n2C)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.54
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
CSNK1A1 P48729 1/20 0.41
GSK3A P49840 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL2487595 0.92 GSK3B (0.64) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2490560 0.92 GSK3B (0.51) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL3744211 0.88 GSK3B (0.52) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2488960 0.82 GSK3B (0.49) GSK3B
SCHEMBL2491255 0.80 GSK3B (0.51) GSK3BCYP2D6
SCHEMBL2487402 0.80 GSK3B (0.51) GSK3BCYP2D6
SCHEMBL2489723 0.80 GSK3B (0.49) GSK3BCYP2D6CYP1A2JAK3GFER
SCHEMBL2486151 0.80 GSK3B (0.49) GSK3BCYP2D6CYP1A2JAK3GFER
SCHEMBL2488484 0.78 GSK3B (0.51) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2489770 0.77 USP30 (0.52) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
WO-2008023239-A1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-28 WO 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-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885CYP2D6 516/4885CYP1A2 1200/4885

“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.