SCHEMBL5089392

SCHEMBL5089392

NC(=O)c1ccc(-c2ccnc(NCc3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 5/20 0.51
MAPK8 P45983 3/20 0.51
PIK3CG P48736 2/20 0.51
GSK3B P49841 2/20 0.51
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
PRKCA P17252 2/20 0.50
VCP P55072 1/20 0.49
PLK1 P53350 1/20 0.48
MAPK10 P53779 1/20 0.48
EGFR P00533 2/20 0.47
SRC P12931 1/20 0.47
PDE5A O76074 1/20 0.45
HDAC1 Q13547 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
IGF1R P08069 1/20 0.45
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45

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
SCHEMBL27576350 0.84 CAMKK2 (0.55) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5091408 0.83 CAMKK2 (0.54) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5100273 0.83 CAMK2D (0.55) CAMKK2MAPK8PIK3CGGSK3BVCP
SCHEMBL5094438 0.83 CAMKK2 (0.54) CAMKK2MAPK8PIK3CGGSK3BVCP
SCHEMBL5089194 0.82 CLK4 (0.58) CAMKK2MAPK8PIK3CGGSK3BVCP
SCHEMBL5094176 0.81 CAMKK2 (0.58) CAMKK2MAPK8PIK3CGGSK3BABL1
SCHEMBL5092037 0.81 CAMKK2 (0.58) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5093362 0.80 VNN1 (0.55) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5094295 0.80 PIK3CG (0.47) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5099882 0.80 CLK4 (0.60) CAMKK2MAPK8PIK3CGGSK3BMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
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
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN 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
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN 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 CAMKK2 692/4885MAPK8 878/4885PIK3CG 157/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885MAPK8 849/4885PIK3CG 143/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885MAPK8 849/4885PIK3CG 143/4885

“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.