SCHEMBL5089147

SCHEMBL5089147

N#Cc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2-c2ncc[nH]2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.64
CCNB2 O95067 2/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
GSK3A P49840 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
LIMK1 P53667 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
SLK Q9H2G2 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
MAPK8 P45983 1/20 0.36
DPP4 P27487 4/20 0.35
DPP7 Q9UHL4 1/20 0.35
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5089137 0.85 GSK3B (0.46) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4403283 0.84 GSK3B (0.67) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4401822 0.80 GSK3B (0.81) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7256596 0.80 GSK3B (0.70) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7250110 0.80 GSK3B (0.75) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL6635345 0.79 GSK3B (0.82) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7255498 0.79 GSK3B (0.72) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL14079000 0.78 GSK3B (0.48) GSK3BCDK1GSK3AMKNK1MKNK2
SCHEMBL7249886 0.78 GSK3B (0.73) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4393969 0.78 GSK3B (0.68) GSK3BCCNB2CDK1CCNB1GSK3A

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 10 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
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 GSK3B 1/4885CCNB2 1150/4885CDK1 7/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885CCNB2 1241/4885CDK1 7/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885CCNB2 1241/4885CDK1 7/4885

“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.