SCHEMBL5093366

SCHEMBL5093366

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.61
GSK3A P49840 3/20 0.61
CDK1 P06493 2/20 0.36
CCNB2 O95067 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
SLC9A5 Q14940 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL5095078 0.91 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094415 0.89 GSK3B (0.57) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5093363 0.88 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100411 0.88 GSK3B (0.55) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094486 0.86 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5099070 0.85 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094822 0.85 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5099538 0.84 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5089178 0.84 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100730 0.84 GSK3B (0.76) GSK3BGSK3ACDK1CCNB2CCNB1

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.