SCHEMBL5094979

SCHEMBL5094979

N#Cc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)nc(-c3ccc([N+](=O)[O-])cc3)c2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
DPP4 P27487 4/20 0.43
DPP7 Q9UHL4 1/20 0.43
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GSK3B P49841 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM6B O15054 1/20 0.38
FTO Q9C0B1 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HIF1AN Q9NWT6 1/20 0.38

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
SCHEMBL5092321 0.99 MAPK8 (0.44) MAPK8DPP4DPP7POLBSMN1; SMN2
SCHEMBL5100324 0.96 POLB (0.44) MAPK8DPP4DPP7POLBSMN1; SMN2
SCHEMBL5089158 0.95 MAPK8 (0.41) MAPK8DPP4DPP7POLBSMN1; SMN2
SCHEMBL5094168 0.92 ALDH1A1 (0.47) MAPK8DPP4DPP7POLBSMN1; SMN2
SCHEMBL5094052 0.92 DPP4 (0.49) DPP4DPP7POLBSMN1; SMN2ALDH1A1
SCHEMBL5094658 0.92 MAPK8 (0.40) MAPK8DPP4DPP7POLBSMN1; SMN2
SCHEMBL5089162 0.91 MAPK8 (0.42) MAPK8DPP4DPP7POLBSMN1; SMN2
SCHEMBL5089087 0.89 POLB (0.50) DPP4POLBSMN1; SMN2ALDH1A1GSK3B
SCHEMBL5099417 0.88 DPP4 (0.46) DPP4POLBSMN1; SMN2ALDH1A1GSK3B
SCHEMBL5092032 0.88 GSK3B (0.44) MAPK8DPP4DPP7POLBSMN1; SMN2

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 11 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
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
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 878/4885DPP4 2190/4885DPP7 3466/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885DPP4 2183/4885DPP7 3403/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885DPP4 2183/4885DPP7 3403/4885

“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.