SCHEMBL7535498

SCHEMBL7535498

Cn1cc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2=O)c2cc(F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.46
CDK2 P24941 3/20 0.44
PRKCA P17252 2/20 0.41
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
STK16 O75716 1/20 0.39
EIF2AK2 P19525 1/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK4 P31152 1/20 0.39
TTK P33981 1/20 0.39
CDK8 P49336 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
GSK3A P49840 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
PLK1 P53350 1/20 0.39
CDK3 Q00526 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
SCHEMBL4417375 0.89 GABRP (0.49) GSK3BCDK2PRKCAPLK4AURKA
SCHEMBL7535492 0.86 GSK3B (0.49) GSK3BCDK2PRKCAKDM4EALDH1A1
SCHEMBL8162074 0.81 MAPT (0.54) CDK2CDK9
SCHEMBL4425448 0.77 GSK3B (0.51) GSK3BCDK2PRKCAMAPK1GSK3A
SCHEMBL4421751 0.76 GSK3B (0.61) GSK3BCDK2PRKCAPLK4AURKA
SCHEMBL4419603 0.76 GSK3B (0.49) GSK3BCDK2PRKCACDK9
SCHEMBL6580882 0.75 GSK3B (0.49) GSK3BPRKCAALDH1A1
SCHEMBL7502568 0.70 GSK3B (0.58) GSK3BCDK2PRKCA
SCHEMBL8167814 0.68 CCNE2 (0.69) CDK2
SCHEMBL20379350 0.67 L3MBTL1 (0.68) MAPK1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 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-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL GSK3B 1/4885CDK2 102/4885PRKCA 61/4885

“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.