SCHEMBL5094646

SCHEMBL5094646

NC(=O)c1ccc(-c2ccnc(NCCCc3nc([N+](=O)[O-])c[nH]3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.42
MAPK10 P53779 1/20 0.42
CAMKK2 Q96RR4 5/20 0.41
PIK3CG P48736 4/20 0.41
GSK3B P49841 2/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
IKBKB O14920 2/20 0.40
CHUK O15111 1/20 0.40
MAP4K4 O95819 1/20 0.39
JAK2 O60674 2/20 0.38
EIF2AK2 P19525 1/20 0.35
CAMK2D Q13557 3/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
MAPK1 P28482 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL5089098 0.89 PIM1 (0.38) PIK3CGPIM1PIM2IKBKBCHUK
SCHEMBL7019739 0.88 CAMKK2 (0.47) MAPK8MAPK10CAMKK2PIK3CGGSK3B
SCHEMBL5989559 0.86 CAMKK2 (0.46) MAPK8MAPK10CAMKK2PIK3CGGSK3B
SCHEMBL5089409 0.84 MAPK8 (0.54) MAPK8MAPK10CAMKK2PIK3CGGSK3B
SCHEMBL5093897 0.81 MAPK8 (0.47) MAPK8MAPK10CAMKK2PIK3CGGSK3B
SCHEMBL5094703 0.78 MAP4K4 (0.44) MAPK8MAPK10CAMKK2PIK3CGGSK3B
SCHEMBL5094187 0.78 CAMKK2 (0.48) MAPK8MAPK10CAMKK2PIK3CGGSK3B
SCHEMBL5094028 0.77 MAP4K4 (0.46) MAPK8MAPK10CAMKK2PIK3CGGSK3B
SCHEMBL5094295 0.77 PIK3CG (0.47) MAPK8MAPK10CAMKK2PIK3CGGSK3B
SCHEMBL5089083 0.76 MKNK1 (0.47) MAPK8MAPK10CAMKK2PIK3CGGSK3B

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 12 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
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 878/4885MAPK10 1004/4885CAMKK2 692/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885MAPK10 974/4885CAMKK2 707/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885MAPK10 974/4885CAMKK2 707/4885

“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.