SCHEMBL2490362

SCHEMBL2490362

CCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCCN(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 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
SCHEMBL12207397 0.95 GSK3B (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL2488432 0.93 GSK3B (0.42) GSK3BCYP1A2CYP2D6MEN1USP2
SCHEMBL2489743 0.90 GSK3B (0.44) GSK3BCYP1A2CYP2D6
SCHEMBL2487905 0.89 GSK3B (0.41) GSK3BCYP1A2CYP2D6KMT2A
SCHEMBL2489903 0.85 GSK3B (0.41) GSK3BCYP1A2CYP2D6MEN1USP2
SCHEMBL2492507 0.85 JAK2 (0.44) GSK3BCYP1A2CYP2D6
SCHEMBL2488416 0.84 GSK3B (0.45) GSK3BCYP1A2CYP2D6NPSR1ALDH1A1
SCHEMBL2487965 0.84 GSK3B (0.46) GSK3BCYP1A2CYP2D6ALDH1A1
SCHEMBL2488496 0.83 GSK3B (0.41) GSK3BCYP1A2CYP2D6ALDH1A1
SCHEMBL2490222 0.81 GSK3B (0.45) 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
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.