SCHEMBL5089149

SCHEMBL5089149

Cc1ccc(-c2nc(N(CCNc3ccc([N+](=O)[O-])cn3)N(CCNc3ccc([N+](=O)[O-])cn3)c3ncc(-c4ncc[nH]4)c(-c4ccc(C)cc4)n3)ncc2-c2ncc[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.54
MAPT P10636 5/20 0.40
CDK1 P06493 2/20 0.40
CCNB2 O95067 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
MKNK2 Q9HBH9 2/20 0.36
DYRK3 O43781 1/20 0.36
ABL1 P00519 1/20 0.36
CSF1R P07333 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PHKG2 P15735 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36

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
SCHEMBL5094954 0.92 GSK3B (0.53) GSK3BMAPTCDK1CCNB2CCNB1
SCHEMBL5089420 0.92 GSK3B (0.62) GSK3BMAPTCDK1CCNB2CCNB1
SCHEMBL5093601 0.87 GSK3B (0.50) GSK3BMAPTCDK1CCNB2CCNB1
SCHEMBL7256596 0.87 GSK3B (0.70) GSK3BMAPTCDK1CCNB2CCNB1
SCHEMBL5093407 0.86 GSK3B (0.49) GSK3BMAPTCDK1CCNB2CCNB1
SCHEMBL5099342 0.85 GSK3B (0.66) GSK3BMAPTCDK1CCNB2CCNB1
SCHEMBL5089277 0.84 GSK3B (0.55) GSK3BMAPTCDK1CCNB2CCNB1
SCHEMBL5091984 0.84 GSK3B (0.64) GSK3BMAPTCDK1CCNB2CCNB1
SCHEMBL5092295 0.83 GSK3B (0.57) GSK3BMAPTCDK1CCNB2CCNB1
SCHEMBL6085489 0.82 GSK3B (0.58) GSK3BMAPTCDK1CCNB2CCNB1

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885MAPT 146/4885CDK1 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.