SCHEMBL5094074

SCHEMBL5094074

FC(F)(F)c1ccc(NCCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Br)cc3Cl)n2)N(CCNc2ccc(C(F)(F)F)cn2)c2ncc(-c3ncc[nH]3)c(-c3ccc(Br)cc3Cl)n2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.45
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
GSK3A P49840 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
METAP1 P53582 1/20 0.35
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
LIMK1 P53667 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
SLK Q9H2G2 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL5099435 0.92 GSK3B (0.54) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5099062 0.91 GSK3B (0.46) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5089418 0.89 GSK3B (0.43) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL6639517 0.87 GSK3B (0.59) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5093357 0.85 GSK3B (0.45) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5095071 0.84 GSK3B (0.66) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5089069 0.81 GSK3B (0.51) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5099865 0.81 GSK3B (0.42) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5093671 0.80 METAP1 (0.35) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4395874 0.79 GSK3B (0.70) 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 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
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 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 (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 1/4885CCNB2 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.