SCHEMBL4421134

SCHEMBL4421134

Cn1cc(C2=C(c3cccc(N)c3)C(=O)NC2=O)c2cc(F)ccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.76
PRKCA P17252 6/20 0.76
PLK4 O00444 1/20 0.62
AURKA O14965 1/20 0.62
STK16 O75716 1/20 0.62
EIF2AK2 P19525 1/20 0.62
CDK2 P24941 1/20 0.62
MAPK3 P27361 1/20 0.62
MAPK1 P28482 1/20 0.62
MAPK4 P31152 1/20 0.62
TTK P33981 1/20 0.62
CDK8 P49336 1/20 0.62
CLK1 P49759 1/20 0.62
CLK2 P49760 1/20 0.62
CLK3 P49761 1/20 0.62
GSK3A P49840 1/20 0.62
CDK7 P50613 1/20 0.62
CDK9 P50750 1/20 0.62
PLK1 P53350 1/20 0.62
CDK3 Q00526 1/20 0.62

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
SCHEMBL24393899 0.87 GSK3B (0.76) GSK3BPRKCACDK2
SCHEMBL4418475 0.87 GSK3B (0.76) GSK3BPRKCACDK2MAPK1GSK3A
SCHEMBL29396453 0.86 GSK3B (1.00) GSK3BPRKCACDK2
SCHEMBL29359337 0.86 GSK3B (1.00) GSK3BPRKCACDK2
SCHEMBL4427029 0.86 GSK3B (1.00) GSK3BPRKCACDK2
SCHEMBL6584908 0.85 GSK3B (0.72) GSK3BPRKCA
SCHEMBL4421751 0.83 GSK3B (0.61) GSK3BPRKCAPLK4AURKASTK16
SCHEMBL20387052 0.81 GSK3B (0.72) GSK3BPRKCAPLK4AURKASTK16
SCHEMBL6584571 0.80 GSK3B (0.58) GSK3BPRKCAPLK4AURKASTK16
SCHEMBL7497412 0.79 GSK3B (0.62) GSK3BPRKCACDK2

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 GSK3B 1/4885PRKCA 61/4885PLK4 26/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL GSK3B 1/4885PRKCA 62/4885PLK4 26/4885
US-20030176484-A1 Methods for increasing bone formation using inhibitors of glycogen synthase kinase-3 betta GSK3B, GSK3A, PHKA1 GSK3B 1/4885PRKCA 195/4885PLK4 222/4885

“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.