SCHEMBL2486253

SCHEMBL2486253

Cn1c(NC2CCN(S(=O)(=O)c3ccccc3)CC2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CCR6 P51684 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
IKBKB O14920 1/20 0.44
HSD11B1 P28845 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL2491305 0.96 GSK3B (0.47) GSK3BCYP1A2CYP2D6CCR6TDP1
SCHEMBL2487958 0.94 GSK3B (0.48) GSK3BCYP1A2CYP2D6TDP1
SCHEMBL2488413 0.90 GSK3B (0.52) GSK3BCYP1A2CYP2D6
SCHEMBL2489777 0.89 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL2491949 0.88 GSK3B (0.48) GSK3BCYP1A2CYP2D6CDK2
SCHEMBL2488076 0.85 GSK3B (0.54) GSK3BCYP1A2CYP2D6
SCHEMBL2486501 0.84 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL14300185 0.84 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL2486497 0.84 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL2486499 0.84 GSK3B (0.51) 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 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
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
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 1/4885CYP1A2 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.