SCHEMBL7535492

SCHEMBL7535492

Cn1cc(C2=C(c3ccccc3[N+](=O)[O-])C(=O)OC2=O)c2cc(F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.49
CDK2 P24941 3/20 0.45
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
PDK1 Q15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
QPCT Q16769 1/20 0.40
PRKCA P17252 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
SCHEMBL7535498 0.86 GSK3B (0.46) GSK3BCDK2KDM4EALDH1A1PRKCA
SCHEMBL4417375 0.82 GABRP (0.49) GSK3BCDK2ALDH1A1QPCTPRKCA
SCHEMBL8162074 0.77 MAPT (0.54) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL8162898 0.73 CCNE2 (0.72) GSK3BCDK2CCNE2CDK4CCND1
SCHEMBL22450636 0.71 BRD4 (0.51) GSK3BCDK2CCNE2CDK4PRKACA
SCHEMBL15024957 0.71 CCNE2 (0.49) GSK3BCDK2CCNE2CDK4CCND1
SCHEMBL4421751 0.70 GSK3B (0.61) GSK3BCDK2QPCTPRKCA
SCHEMBL4419603 0.70 GSK3B (0.49) GSK3BCDK2CCNE2CDK4CCND1
SCHEMBL4425448 0.69 GSK3B (0.51) GSK3BCDK2CDK4CCND1ALDH1A1
SCHEMBL8161370 0.69 CCNT1 (0.56) GSK3BCDK2CCNE2CDK4CCND1

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 102/4885CCNE2 1424/4885

“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.