SCHEMBL3148486

SCHEMBL3148486

O=C1C=C(c2ccccc2)C(=O)N1c1c[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CCR6 P51684 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SIRT2 Q8IXJ6 3/20 0.39
SIRT1 Q96EB6 1/20 0.39
PTPRC P08575 1/20 0.38
PTPRF P10586 1/20 0.38
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL30612232 0.86 PTPRC (0.50) MAPTGAASIRT2SIRT1PTPRC
SCHEMBL7816235 0.86 PTPRC (0.50) MAPTGAASIRT2SIRT1PTPRC
SCHEMBL27910874 0.82 SIRT2 (0.41) MAPTGAAALDH1A1SIRT2SIRT1
SCHEMBL856333 0.75 TLR9 (0.52) MAPTSIRT2SIRT1MEN1KMT2A
SCHEMBL29671041 0.75 POLB (0.54) MAPTGAAALDH1A1CCR6NPSR1
SCHEMBL9156042 0.75 POLB (0.54) MAPTGAAALDH1A1CCR6NPSR1
SCHEMBL3254214 0.72 PTPRC (0.45) ALDH1A1SIRT2SIRT1PTPRCPTPRF
SCHEMBL303331 0.71 ALDH1A1 (0.51) MAPTGAAALDH1A1CCR6NPSR1
SCHEMBL1473515 0.71 MGLL (0.53) MAPTGAAALDH1A1CCR6NPSR1
SCHEMBL1471696 0.71 MGLL (0.53) MAPTGAAALDH1A1CCR6NPSR1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090304663-A1 USE OF GSK-3 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER IMPERIAL INNOVATIONS LIMITED (GB) 2009-12-10 US claimed
EP-1786448-A1 USE OF GSK-3 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER Imperial Innovations Limited (GB) 2007-05-23 EP claimed
WO-2006018633-A1 USE OF GSK-3 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER IMPERIAL INNOVATIONS LIMITED (GB) 2006-02-23 WO claimed
US-20050075276-A1 Use of inhibitors of glycogen synthase-3 to augment CD28 dependent -T-cell responses RUDD CHRISTOPHER (US) 2005-04-07 US claimed
EP-2125683-B1 3-BENZOFURANYL-4-INDOLYL-MALEIMIDES AS POTENT GSK-3 INHIBITORS FOR NEURODEGENERATIVE DISORDERS UNIV ILLINOIS (US) 2013-10-23 EP disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 US disclosed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20100105745-A1 Suppression of cancer and method for evaluating anticancer agent based on the effect of inhibiting gsk3 beta NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2010-04-29 US disclosed
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-01-07 US disclosed
US-20090304663-A1 USE OF GSK-3 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER IMPERIAL INNOVATIONS LIMITED (GB) 2009-12-10 US disclosed
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
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-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
WO-2002010158-A3 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2002-05-16 WO 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
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
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
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-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors GSK3B, GSK3A, GSKIP MAPT 22/4885GAA 1270/4885ALDH1A1 2460/4885
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL MAPT 851/4885GAA 447/4885ALDH1A1 2363/4885
US-20100105745-A1 Suppression of cancer and method for evaluating anticancer agent based on the effect of inhibiting gsk3 beta GSK3B, GSK3A, GSKIP MAPT 3986/4885GAA 538/4885ALDH1A1 2638/4885

“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.