SCHEMBL5094353

SCHEMBL5094353

O=[N+]([O-])c1ccc(NCCNc2nccc(-c3cccc(O)c3)n2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52
PLK1 P53350 1/20 0.50
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
PRKCA P17252 2/20 0.46
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
GSK3B P49841 1/20 0.46
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DPP4 P27487 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PAX8 Q06710 1/20 0.41
RAF1 P04049 1/20 0.41

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
SCHEMBL5093386 0.88 MKNK1 (0.53) MKNK1MKNK2PLK1GSK3BMAPT
SCHEMBL5091379 0.85 MKNK1 (0.50) MKNK1MKNK2PLK1ABL1BCR
SCHEMBL7855524 0.82 MKNK1 (0.54) MKNK1MKNK2PLK1ABL1BCR
SCHEMBL5089535 0.80 MKNK1 (0.50) MKNK1MKNK2GSK3BPOLBSMN1; SMN2
SCHEMBL27538098 0.79 PLK1 (0.59) MKNK1MKNK2PLK1ABL1BCR
SCHEMBL4398205 0.79 GSK3B (0.58) MKNK1MKNK2PLK1GSK3BMAPT
SCHEMBL5095126 0.79 MKNK1 (0.51) MKNK1MKNK2GSK3BMEN1KMT2A
SCHEMBL5094808 0.78 GAA (0.52) MKNK1MKNK2MAPTPOLBDPP4
SCHEMBL5089170 0.78 SMN1; SMN2 (0.43) MKNK1MKNK2GSK3BMAPTPOLB
SCHEMBL5094167 0.78 MKNK1 (0.54) MKNK1MKNK2ABL1BCRPRKCA

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 MKNK1 150/4885MKNK2 358/4885PLK1 8/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885PLK1 8/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885PLK1 8/4885

“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.