SCHEMBL6582702

SCHEMBL6582702

Cn1cc(C2=C(c3cccc(OCCN4CCOCC4)c3)C(=O)OC2=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.56
PRKCA P17252 1/20 0.49
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
INPPL1 O15357 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
KDR P35968 1/20 0.43
LTA4H P09960 1/20 0.43
PPARG P37231 2/20 0.43

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
SCHEMBL6581578 0.90 GSK3B (0.55) GSK3BPRKCAADORA2AADORA1NPC1
SCHEMBL6584593 0.89 GSK3B (0.72) GSK3BPRKCAKDR
SCHEMBL6581528 0.84 GSK3B (0.62) GSK3BPRKCA
SCHEMBL4985394 0.83 GSK3B (0.53) GSK3BADORA2AADORA1INPPL1
SCHEMBL6956475 0.78 ADORA2A (0.49) ADORA2AADORA1NPC1RAB9AKDM4E
SCHEMBL5255607 0.76 GSK3B (0.52) GSK3BADORA2AADORA1NPC1RAB9A
SCHEMBL6581537 0.75 GSK3B (0.51) GSK3BPRKCAKDR
SCHEMBL6582777 0.75 GSK3B (0.51) GSK3BPRKCAKDR
SCHEMBL28893423 0.74 NPC1 (0.57) ADORA2AADORA1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL5259095 0.74 GSK3B (0.63) GSK3BPRKCAKDR

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 6 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
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 (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 GSK3B 1/4885PRKCA 61/4885ADORA2A 2779/4885
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 62/4885ADORA2A 3431/4885

“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.