SCHEMBL6581554

SCHEMBL6581554

Cn1cc(C2=C(c3ccccc3OC[C@@H]3COC(C)(C)O3)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.54
CCNE2 O96020 1/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
CCNE1 P24864 1/20 0.54
GSK3B P49841 4/20 0.50
PRKCA P17252 2/20 0.50
CCNT1 O60563 1/20 0.48
PIM1 P11309 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK9 P50750 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48

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
SCHEMBL6580771 1.00 CDK2 (0.54) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL6580776 1.00 CDK2 (0.54) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL6581704 0.93 CDK2 (0.50) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL6581694 0.93 CDK2 (0.50) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7086250 0.89 CCNE2 (0.46) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL6583731 0.89 CCNE2 (0.46) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL6585562 0.87 GSK3B (0.56) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL6585557 0.87 GSK3B (0.56) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL6583089 0.85 GSK3B (0.64) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL6583897 0.85 GSK3B (0.64) CDK2CCNE2CDK4CCND1CCNE1

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-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 US disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
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 (2 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 CDK2 102/4885CCNE2 1424/4885CDK4 368/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL CDK2 206/4885CCNE2 2037/4885CDK4 507/4885

“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.