SCHEMBL2489098

SCHEMBL2489098

Cn1c(NC[C@H]2CCCN2S(=O)(=O)c2ccccc2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.53
CASP3 P42574 2/20 0.45
CASP1 P29466 1/20 0.45
CASP2 P42575 1/20 0.45
CASP4 P49662 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45

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
SCHEMBL2488045 0.88 GSK3B (0.57) GSK3B
SCHEMBL2488076 0.83 GSK3B (0.54) GSK3B
SCHEMBL2488861 0.81 GSK3B (0.57) GSK3B
SCHEMBL2491078 0.81 GSK3B (0.57) GSK3B
SCHEMBL3751495 0.81 GSK3B (0.57) GSK3B
SCHEMBL2489235 0.80 GSK3B (0.61) GSK3B
SCHEMBL2485344 0.80 GSK3B (0.61) GSK3B
SCHEMBL2487766 0.80 GSK3B (0.45) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL2488417 0.79 GSK3B (0.56) GSK3B
SCHEMBL2488277 0.79 GSK3B (0.57) GSK3B

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 1/4885CASP3 315/4885CASP1 1683/4885

“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.