SCHEMBL5099347

SCHEMBL5099347

O=[N+]([O-])c1ccc(NCCNc2nccc(-c3ccc(-c4nc(Cl)c(Cl)[nH]4)cc3)n2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CB P42338 4/20 0.42
PIK3CG P48736 4/20 0.42
DPP4 P27487 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPBWR1 P48145 1/20 0.37

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
SCHEMBL4398205 0.87 GSK3B (0.58) GSK3BMKNK1MKNK2MEN1KMT2A
SCHEMBL5100332 0.84 MMP2 (0.54) GSK3BMKNK1MKNK2MEN1KMT2A
SCHEMBL5093386 0.83 MKNK1 (0.53) GSK3BMKNK1MKNK2MEN1KMT2A
SCHEMBL7855524 0.82 MKNK1 (0.54) GSK3BMKNK1MKNK2MEN1KMT2A
SCHEMBL5095126 0.81 MKNK1 (0.51) GSK3BMKNK1MKNK2MEN1KMT2A
SCHEMBL5089535 0.80 MKNK1 (0.50) GSK3BMKNK1MKNK2MEN1KMT2A
SCHEMBL5094808 0.78 GAA (0.52) MKNK1MKNK2MEN1KMT2AMAPT
SCHEMBL5099443 0.77 MKNK1 (0.49) MKNK1MKNK2MEN1KMT2AALDH1A1
SCHEMBL5089083 0.76 MKNK1 (0.47) GSK3BMKNK1MKNK2MEN1KMT2A
SCHEMBL5089414 0.76 MAPT (0.59) GSK3BMKNK1MKNK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 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
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP 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
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885MKNK1 150/4885MKNK2 358/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885MKNK1 142/4885MKNK2 345/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885MKNK1 142/4885MKNK2 345/4885

“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.