SCHEMBL2489617

SCHEMBL2489617

COC(=O)N1CCC(N(C)c2nc(-c3ccncc3)cc(=O)n2C)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.47
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL2487041 0.91 GPR119 (0.49) GSK3BUSP30
SCHEMBL2489165 0.90 GSK3B (0.42) GSK3BCYP2D6
SCHEMBL2491103 0.90 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL2491912 0.86 GSK3B (0.40) GSK3B
SCHEMBL2489280 0.86 GSK3B (0.48) GSK3BCYP2D6CYP1A2
SCHEMBL2491214 0.85 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL2487968 0.84 GSK3B (0.54) GSK3BCYP2D6CYP1A2
SCHEMBL3749271 0.84 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL2489124 0.83 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL2527052 0.82 MAP4K4 (0.41) GSK3BCYP2D6CYP1A2

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
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 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-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.