SCHEMBL2491912

SCHEMBL2491912

CCOC(=O)N1CCC[C@@H](N(C)c2nc(-c3ccncc3)cc(=O)n2C)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
PIM1 P11309 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
P2RY12 Q9H244 1/20 0.38
MAP4K4 O95819 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2491255 0.89 GSK3B (0.51) GSK3B
SCHEMBL2487402 0.89 GSK3B (0.51) GSK3B
SCHEMBL3749271 0.88 GSK3B (0.43) GSK3B
SCHEMBL2489617 0.86 GSK3B (0.47) GSK3B
SCHEMBL2489165 0.84 GSK3B (0.42) GSK3B
SCHEMBL2487041 0.83 GPR119 (0.49) GSK3B
SCHEMBL2527052 0.82 MAP4K4 (0.41) GSK3BMAP4K4
SCHEMBL2491103 0.82 GSK3B (0.44) GSK3B
SCHEMBL2529679 0.81 GPR119 (0.50) GSK3B
SCHEMBL2485862 0.80 GSK3B (0.60) GSK3BCYP3A4

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
EP-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed
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 1/4885CDC7 738/4885ROCK2 824/4885

“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.