SCHEMBL5089218

SCHEMBL5089218

NS(=O)(=O)c1ccc(-c2ccnc(NCCNc3ccccn3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.57
DKK1 O94907 1/20 0.52
GSK3B P49841 1/20 0.52
MAPK8 P45983 1/20 0.50
MAPK10 P53779 1/20 0.50
MRGPRX1 Q96LB2 1/20 0.49
CDK2 P24941 2/20 0.48
CDK1 P06493 1/20 0.48
MTOR P42345 1/20 0.48
SMG1 Q96Q15 1/20 0.48
CDK4 P11802 1/20 0.47
CHRNA7 P36544 1/20 0.46
JAK2 O60674 1/20 0.45

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
SCHEMBL5100516 0.84 VCP (0.47) MAPK8MAPK10CDK2
SCHEMBL5093306 0.83 PKM (0.47) IKBKB
SCHEMBL5093927 0.81 PIK3CA (0.52) IKBKB
SCHEMBL5093422 0.81 MAPK8 (0.57) IKBKBGSK3BMAPK8MAPK10JAK2
SCHEMBL5095126 0.81 MKNK1 (0.51) IKBKBGSK3BMAPK8MAPK10MRGPRX1
SCHEMBL5100580 0.79 MEN1 (0.47) IKBKBJAK2
SCHEMBL5100245 0.78 ABL1 (0.58)
SCHEMBL7844380 0.78 MAPK8 (0.53) IKBKBGSK3BMAPK8MAPK10JAK2
SCHEMBL5099513 0.77 NISCH (0.42) CDK2CDK1MTORSMG1CDK4
SCHEMBL5092325 0.76 CSNK2A1 (0.45) GSK3BCDK2CDK1MTORSMG1

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 4 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-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 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-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB IKBKB 161/4885DKK1 818/4885GSK3B 1/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB IKBKB 161/4885DKK1 818/4885GSK3B 1/4885

“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.