SCHEMBL5089083

SCHEMBL5089083

NC(=O)c1ccc(-c2ccnc(NCCCNc3ccc([N+](=O)[O-])cn3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
MAPK8 P45983 3/20 0.43
MAPK10 P53779 1/20 0.43
PIK3CG P48736 4/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 3/20 0.42
POLB P06746 1/20 0.42
CAMKK2 Q96RR4 4/20 0.42
GSK3B P49841 2/20 0.42
DPP4 P27487 1/20 0.42
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 1/20 0.40
TSHR P16473 1/20 0.40
JAK2 O60674 1/20 0.39

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
SCHEMBL5089535 0.96 MKNK1 (0.50) MKNK1MKNK2MAPK8MAPK10PIK3CG
SCHEMBL6086152 0.86 MKNK1 (0.46) MKNK1MKNK2MAPK8MAPK10PIK3CG
SCHEMBL5093386 0.84 MKNK1 (0.53) MKNK1MKNK2PIK3CGPIK3CAPIK3CB
SCHEMBL7844058 0.83 PIK3CG (0.56) MAPK8MAPK10PIK3CGPIK3CAPIK3CB
SCHEMBL5089414 0.82 MAPT (0.59) MKNK1MKNK2MAPK8PIK3CGPIK3CA
SCHEMBL5094295 0.82 PIK3CG (0.47) MAPK8MAPK10PIK3CGPIK3CAPIK3CB
SCHEMBL5095126 0.81 MKNK1 (0.51) MKNK1MKNK2MAPK8MAPK10PIK3CG
SCHEMBL5089546 0.81 LOXL2 (0.46) MKNK1MKNK2MAPK8PIK3CGPIK3CA
SCHEMBL5094808 0.81 GAA (0.52) MKNK1MKNK2PIK3CGPIK3CAPIK3CB
SCHEMBL7855524 0.81 MKNK1 (0.54) MKNK1MKNK2PIK3CGPIK3CAPIK3CB

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 358/4885MAPK8 878/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885MAPK8 849/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885MAPK8 849/4885

“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.