SCHEMBL2491312

SCHEMBL2491312

CCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.49
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.42
OPRM1 P35372 1/20 0.42
ACHE P22303 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL2492246 0.96 GSK3B (0.47) GSK3BCYP2D6CYP1A2OPRM1ACHE
SCHEMBL2488680 0.94 GSK3B (0.48) GSK3BCYP2D6CYP1A2
SCHEMBL2488030 0.87 GSK3B (0.48) GSK3BCYP2D6CYP1A2ACHEDRD2
SCHEMBL2486160 0.87 GSK3B (0.49) GSK3BCYP2D6CYP1A2
SCHEMBL2487381 0.86 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL2488292 0.86 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL2491589 0.85 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL2489743 0.83 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL2491329 0.83 GSK3B (0.48) GSK3BCYP2D6CYP1A2
SCHEMBL2488416 0.83 GSK3B (0.45) 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 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 1/4885CYP2D6 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.