SCHEMBL7250167

SCHEMBL7250167

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
GSK3B P49841 2/20 0.37
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 2/20 0.36
POLB P06746 2/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM1A O60341 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL5099190 0.88 MAPK8 (0.43) MAPK8GSK3BDPP4DPP7POLB
SCHEMBL5099247 0.79 MAPK8 (0.44) MAPK8GSK3BDPP4DPP7POLB
SCHEMBL5092013 0.79 MAPK8 (0.41) MAPK8GSK3BDPP4DPP7POLB
SCHEMBL5092032 0.78 GSK3B (0.44) MAPK8GSK3BDPP4DPP7POLB
SCHEMBL5093770 0.78 MAPK8 (0.41) MAPK8GSK3BDPP4DPP7POLB
SCHEMBL5092446 0.78 GSK3B (0.46) MAPK8GSK3BDPP4DPP7POLB
SCHEMBL5100098 0.78 GSK3B (0.46) MAPK8GSK3BDPP4DPP7POLB
SCHEMBL5089107 0.78 GSK3B (0.44) MAPK8GSK3BDPP4DPP7POLB
SCHEMBL5092321 0.76 MAPK8 (0.44) MAPK8GSK3BDPP4DPP7POLB
SCHEMBL5092542 0.76 MAPK8 (0.45) MAPK8GSK3BDPP4DPP7POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US 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 (2 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 878/4885GSK3B 1/4885DPP4 2190/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK8 849/4885GSK3B 1/4885DPP4 2183/4885

“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.