SCHEMBL5099247

SCHEMBL5099247

N#Cc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
GSK3B P49841 1/20 0.43
POLB P06746 2/20 0.42
DPP4 P27487 4/20 0.42
DPP7 Q9UHL4 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ZAP70 P43403 1/20 0.41
SYK P43405 1/20 0.41
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
PARP1 P09874 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 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
SCHEMBL5092032 0.92 GSK3B (0.44) MAPK8GSK3BPOLBDPP4DPP7
SCHEMBL5089202 0.90 MAPK8 (0.45) MAPK8GSK3BPOLBDPP4DPP7
SCHEMBL5092542 0.89 MAPK8 (0.45) MAPK8GSK3BPOLBDPP4DPP7
SCHEMBL5094244 0.89 MAPK8 (0.47) MAPK8GSK3BPOLBDPP4DPP7
SCHEMBL5100961 0.89 MAPK8 (0.43) MAPK8GSK3BPOLBDPP4DPP7
SCHEMBL5089368 0.88 MAPK8 (0.46) MAPK8GSK3BPOLBDPP4DPP7
SCHEMBL5089107 0.88 GSK3B (0.44) MAPK8GSK3BPOLBDPP4DPP7
SCHEMBL5091969 0.87 MAPK8 (0.43) MAPK8GSK3BPOLBDPP4DPP7
SCHEMBL5091748 0.87 MAPK8 (0.47) MAPK8GSK3BPOLBDPP4DPP7
SCHEMBL5092013 0.87 MAPK8 (0.41) MAPK8GSK3BPOLBDPP4DPP7

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 13 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-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
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
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP 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
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO 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 (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 MAPK8 878/4885GSK3B 1/4885POLB 624/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885GSK3B 1/4885POLB 692/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885GSK3B 1/4885POLB 692/4885

“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.