SCHEMBL2487923

SCHEMBL2487923

CC(=O)N1C[C@@H](F)[C@H](Nc2nc(-c3ccncc3)cc(=O)n2C)C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.48
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 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
SCHEMBL2487920 1.00 GSK3B (0.48) GSK3BCYP1A2CYP2D6
SCHEMBL2488483 0.92 GSK3B (0.50) GSK3BCYP1A2CYP2D6
SCHEMBL3743617 0.92 GSK3B (0.50) GSK3BCYP1A2CYP2D6
SCHEMBL2491551 0.92 GSK3B (0.50) GSK3BCYP1A2CYP2D6
SCHEMBL2491806 0.90 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL2489745 0.90 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL2488303 0.88 GSK3B (0.56) GSK3BCYP1A2CYP2D6
SCHEMBL2488300 0.88 GSK3B (0.56) GSK3BCYP1A2CYP2D6
SCHEMBL13046442 0.87 GSK3B (0.45) GSK3BCYP1A2CYP2D6
SCHEMBL13046423 0.87 GSK3B (0.45) GSK3BCYP1A2CYP2D6

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 2 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

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 1/4885CYP1A2 1200/4885CYP2D6 516/4885

“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.