SCHEMBL2487738

SCHEMBL2487738

Cn1c(N[C@H]2Cc3ccccc3NC2=O)nc(-c2ccncc2)cc1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.49
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 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
SCHEMBL2403115 0.82 GSK3B (0.56) GSK3BCYP1A2CYP2D6
SCHEMBL2407214 0.73 GSK3B (0.65) GSK3BCDK5
SCHEMBL2401430 0.72 GSK3B (0.67) GSK3BCDK5
SCHEMBL3737463 0.70 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL2488656 0.70 GSK3B (0.55) GSK3BCYP1A2CYP2D6CDK5
SCHEMBL2401479 0.70 GSK3B (0.78) GSK3B
SCHEMBL2489304 0.70 GSK3B (0.58) GSK3BCYP1A2CYP2D6
SCHEMBL3809072 0.70 GSK3B (0.58) GSK3BCYP1A2CYP2D6
SCHEMBL2490246 0.70 GSK3B (0.60) GSK3BCYP1A2CYP2D6
SCHEMBL12207742 0.69 GSK3B (0.54) GSK3BCDK5

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 1/4885CYP1A2 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.