SCHEMBL6581547

SCHEMBL6581547

CN1C(=O)C(Br)=C(c2cn(C)c3ccccc23)C1=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.61
CDK9 P50750 4/20 0.61
CDK2 P24941 2/20 0.59
CCNE2 O96020 1/20 0.59
CDK4 P11802 1/20 0.59
CCND1 P24385 1/20 0.59
CCNE1 P24864 1/20 0.59
GSK3B P49841 4/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
CCNA2 P20248 1/20 0.51
PRKCA P17252 1/20 0.50
PIM1 P11309 1/20 0.49
GSK3A P49840 1/20 0.49

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
SCHEMBL29383914 1.00 CCNT1 (0.61) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL7195024 0.89 CCNT1 (0.76) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6575073 0.82 SIRT2 (0.49) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL7815802 0.82 CCNT1 (0.66) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL29419482 0.82 CCNT1 (0.61) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL7508106 0.82 CCNT1 (0.61) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL6949072 0.82 GSK3B (0.68) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL29349877 0.82 GSK3B (0.68) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL7195040 0.81 CCNT1 (0.40) CCNT1CDK9CDK2CCNE2CDK4
SCHEMBL29386790 0.81 CCNT1 (0.60) CCNT1CDK9CDK2CCNE2CDK4

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 12 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-6589977-B1 Bisindolylpyrrole derivatives represented by general formula (I) which are useful in inhibiting cell death and expected as being useful as preventives and remedies for the progress of various diseases in the progress and worsening of which cell SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-07-08 US 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
EP-1224932-A1 DRUGS INHIBITING CELL DEATH SAGAMI CHEMICAL RESEARCH CENTER (JP) 2002-07-24 EP 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
EP-0397060-B1 Maleinimide derivatives and their use as medicines GOEDECKE AG (DE) 2001-11-21 EP disclosed
EP-1152002-A1 PYRROLE DERIVATIVES AND CELL DEATH INHIBITORS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2001-11-07 EP disclosed
EP-1057484-A1 CELL DEATH INHIBITORS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-12-06 EP disclosed
US-5516915-A Bis-(1H-indol-3-yl)-maleinimide derivatives, processes for the preparation thereof and pharmaceutical compositions containing them GOEDECKE AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
US-5380746-A Bis-(1H-indol-3-YL)-maleinimide derivatives, processes for the preparation thereof and pharmaceutical compositions containing them GOEDECKE AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
EP-0397060-A2 Maleinimide derivatives and their use as medicines GÖDECKE AKTIENGESELLSCHAFT (DE) 1990-11-14 EP 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 CCNT1 1311/4885CDK9 478/4885CDK2 102/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL CCNT1 1642/4885CDK9 541/4885CDK2 206/4885

“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.