SCHEMBL5093363

SCHEMBL5093363

CN1CCN(c2ccc(N(C)CCNc3ccc(N(O)O)c(N)n3)nc2-c2ccc(Cl)cc2Cl)C(=O)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.62
GSK3A P49840 3/20 0.62
CDK1 P06493 2/20 0.36
CCNB2 O95067 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MAPK14 Q16539 1/20 0.32
SLC9A5 Q14940 1/20 0.32
CRHR1 P34998 2/20 0.32
DPP4 P27487 2/20 0.31
CYP3A4 P08684 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
HRH4 Q9H3N8 2/20 0.30

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
SCHEMBL5095084 0.91 GSK3B (0.73) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094409 0.89 GSK3B (0.57) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5093366 0.88 GSK3B (0.61) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100406 0.87 GSK3B (0.56) GSK3BGSK3ACDK1DPP4DPP8
SCHEMBL5094484 0.86 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5099077 0.86 GSK3B (0.63) GSK3BGSK3ACDK1DPP4DPP8
SCHEMBL5094832 0.85 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5099549 0.84 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5092528 0.84 GSK3B (0.61) GSK3BGSK3ACDK1CRHR1DPP4
SCHEMBL5089174 0.84 GSK3B (0.61) GSK3BGSK3ACDK1DPP4DPP8

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 GSK3B 1/4885GSK3A 2/4885CDK1 7/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885CDK1 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.