SCHEMBL2489124

SCHEMBL2489124

CN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCN(C(=O)Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TACR3 P29371 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MCHR1 Q99705 1/20 0.39

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
SCHEMBL2486230 0.91 GSK3B (0.45) GSK3BCYP1A2CYP2D6ALDH1A1
SCHEMBL2491589 0.88 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL2489280 0.86 GSK3B (0.48) GSK3BCYP1A2CYP2D6
SCHEMBL2489073 0.86 GSK3B (0.44) GSK3BCYP1A2CYP2D6ALDH1A1POLB
SCHEMBL2491103 0.85 GSK3B (0.44) GSK3BCYP1A2CYP2D6
SCHEMBL2489981 0.85 GSK3B (0.44) GSK3BCYP1A2CYP2D6ALDH1A1
SCHEMBL2486160 0.84 GSK3B (0.49) GSK3BCYP1A2CYP2D6
SCHEMBL2489617 0.83 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL3749271 0.82 GSK3B (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL2489052 0.81 GSK3B (0.47) GSK3BCYP1A2CYP2D6ALDH1A1

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.