SCHEMBL5100736

SCHEMBL5100736

N#Cc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2C(=O)OCCN2CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.39
DPP7 Q9UHL4 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CDK1 P06493 1/20 0.38
KDR P35968 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
MAPK8 P45983 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
GSK3B P49841 1/20 0.36
LMNA P02545 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL7674236 0.93 DPP4 (0.40) DPP4DPP7CD274GAAMAPT
SCHEMBL5093331 0.90 ALDH1A1 (0.44) DPP4DPP7CD274GAAMAPT
SCHEMBL5091685 0.87 MAPK8 (0.43) DPP4DPP7MAPTALDH1A1MAPK8
SCHEMBL5093866 0.86 DPP4 (0.45) DPP4DPP7MAPTCDK1KDR
SCHEMBL5093426 0.85 PKM (0.49) DPP4DPP7MAPTALDH1A1MAPK8
SCHEMBL5091748 0.84 MAPK8 (0.47) DPP4DPP7GAAMAPTCDK1
SCHEMBL5093437 0.84 MAPK8 (0.41) DPP4DPP7GAAMAPTCDK1
Methyl Alcohol SCHEMBL7856392 0.84 PKM (0.48) DPP4DPP7MAPTALDH1A1MAPK8
SCHEMBL5092542 0.83 MAPK8 (0.45) DPP4DPP7GAAMAPTALDH1A1
SCHEMBL5092119 0.83 MAPK8 (0.40) DPP4DPP7MAPTALDH1A1MAPK8

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 DPP4 2190/4885DPP7 3466/4885CD274 2453/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DPP4 2183/4885DPP7 3403/4885CD274 2549/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DPP4 2183/4885DPP7 3403/4885CD274 2549/4885

“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.