SCHEMBL4417630

SCHEMBL4417630

Cn1cc(C2=C(c3cccc(OC[C@H](O)CO)c3[N+](=O)[O-])C(=O)NC2=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.58
CDK4 P11802 2/20 0.58
CCND1 P24385 2/20 0.58
CCNE1 P24864 2/20 0.58
CDK2 P24941 2/20 0.58
PRKCA P17252 3/20 0.55
GSK3B P49841 3/20 0.55

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
SCHEMBL4417633 1.00 CCNE2 (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6586540 1.00 CCNE2 (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7522437 0.88 CCNE2 (0.67) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6584610 0.86 CCNE2 (0.63) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4419691 0.86 CCNE2 (0.63) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5049317 0.86 CCNE2 (0.63) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4430981 0.82 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4430976 0.82 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4430984 0.82 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7522211 0.79 CCNE2 (0.65) CCNE2CDK4CCND1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476676-B2 Methods for increasing bone formation using inhibitors of glycogen synthase kinase-3β ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
EP-1465610-B1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION HOFFMANN LA ROCHE (CH) 2008-12-31 EP disclosed
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
EP-1465610-A1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION F. HOFFMANN-LA ROCHE AG (CH) 2004-10-13 EP disclosed
US-20030176484-A1 Methods for increasing bone formation using inhibitors of glycogen synthase kinase-3 betta SYNTEX (U.S.A.) LLC 2003-09-18 US disclosed
WO-2003057202-A1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION F. HOFFMANN-LA ROCHE AG (CH) 2003-07-17 WO disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 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
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO 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 (3 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 CCNE2 1424/4885CDK4 368/4885CCND1 2020/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL CCNE2 2037/4885CDK4 507/4885CCND1 2283/4885
US-20030176484-A1 Methods for increasing bone formation using inhibitors of glycogen synthase kinase-3 betta GSK3B, GSK3A, PHKA1 CCNE2 2818/4885CDK4 419/4885CCND1 2342/4885

“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.