SCHEMBL4393584

SCHEMBL4393584

O=[N+]([O-])c1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)ccc2-c2cnc[nH]2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.55
MAPT P10636 4/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
DPP4 P27487 2/20 0.40
CDK1 P06493 2/20 0.40
GSK3A P49840 2/20 0.40
CCNB2 O95067 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40

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
SCHEMBL7250443 0.85 GSK3B (0.56) GSK3BMAPTNPC1ALDH1A1GAA
SCHEMBL4404414 0.85 GSK3B (0.55) GSK3BMAPTNPC1PIK3CAPIK3CB
SCHEMBL4972797 0.85 GSK3B (0.47) GSK3BMAPTNPC1ALDH1A1GAA
SCHEMBL4393725 0.84 GSK3B (0.75) GSK3BMAPTNPC1ALDH1A1GAA
SCHEMBL5091565 0.80 GSK3B (0.58) GSK3BMAPTNPC1ALDH1A1GAA
SCHEMBL6112099 0.80 PIK3CA (0.40) GSK3BMAPTNPC1ALDH1A1GAA
SCHEMBL5100050 0.78 IDO1 (0.45) GSK3BDPP4
SCHEMBL5101208 0.78 GSK3B (0.58) GSK3BMAPTNPC1ALDH1A1GAA
SCHEMBL4970607 0.77 GSK3B (0.55) GSK3BMAPTNPC1ALDH1A1GAA
SCHEMBL4398923 0.76 GSK3B (0.55) GSK3BMAPTNPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074886-A1 GSK-3 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. 2009-03-19 US disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
EP-1490093-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-04-11 EP disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
US-20050203059-A1 Methods and compositions for treatment of ischemia HARRISON STEPHEN D (US) 2005-09-15 US disclosed
US-20050054663-A1 Bone disorders; osteoporosis CHIRON CORPORATION 2005-03-10 US disclosed
EP-1490093-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2004-12-29 EP disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
WO-2003074072-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2003-09-12 WO disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (6 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-20050054663-A1 Bone disorders; osteoporosis GSK3B, GSK3A, GSKIP GSK3B 1/4885MAPT 1221/4885NPC1 2893/4885
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885MAPT 134/4885NPC1 2111/4885
US-20050203059-A1 Methods and compositions for treatment of ischemia PYGB, GSK3B, GSK3A GSK3B 2/4885MAPT 737/4885NPC1 1801/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885MAPT 146/4885NPC1 1941/4885
US-20090074886-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3B 1/4885MAPT 594/4885NPC1 2867/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885MAPT 146/4885NPC1 1941/4885

“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.