SCHEMBL2491329

SCHEMBL2491329

CCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.48
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
GRM5 P41594 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 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
SCHEMBL2526541 0.97 GSK3B (0.45) GSK3BACACBACACAGRM5CYP2C9
SCHEMBL2488825 0.95 GSK3B (0.46) GSK3BACACBACACAGRM5CYP2C9
SCHEMBL2490222 0.90 GSK3B (0.45) GSK3BGRM5CYP2C9CYP1A2CYP2D6
SCHEMBL2489453 0.88 GSK3B (0.42) GSK3BCYP1A2CYP2D6
SCHEMBL2491589 0.88 GSK3B (0.47) GSK3BCYP2C9CYP1A2CYP2D6
SCHEMBL2489805 0.86 GSK3B (0.45) GSK3BACACBACACAGRM5CYP2C9
SCHEMBL2489280 0.86 GSK3B (0.48) GSK3BACACBACACAGRM5CYP1A2
SCHEMBL2491214 0.86 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL2489981 0.85 GSK3B (0.44) GSK3BCYP2C9CYP1A2CYP2D6
SCHEMBL2488292 0.84 GSK3B (0.47) 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 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
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 1/4885ACACB 1317/4885ACACA 1546/4885

“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.