SCHEMBL6069144

SCHEMBL6069144

CC(=O)Nc1ccc(NCCNc2ccc(C#N)cn2)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
GSK3A P49840 1/20 0.49
LIMK1 P53667 1/20 0.49
TAOK1 Q7L7X3 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
SLK Q9H2G2 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
CSNK1G1 Q9HCP0 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.46
EGLN2 Q96KS0 1/20 0.41
IDH1 O75874 1/20 0.40
DPP7 Q9UHL4 2/20 0.38
GCGR P47871 1/20 0.38
DPP4 P27487 4/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL6069286 0.90 GSK3B (0.48) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL6069368 0.82 GSK3B (0.51) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL6069886 0.80 GSK3B (0.48) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL6069383 0.78 GSK3B (0.54) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL6069053 0.76 GSK3B (0.47) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL13300067 0.73 GSK3B (0.59) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL6069154 0.72 GSK3B (0.45) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL13300243 0.71 GSK3B (0.56) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL2909840 0.70 GSK3B (0.55) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL3109972 0.70 GSK3B (0.56) GSK3BCCNB2CDK1CCNB1RPS6KB1

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-6989382-B2 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-01-24 US disclosed
EP-1556355-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-07-27 EP disclosed
US-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2004-07-15 US disclosed
WO-2004037791-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-05-06 WO 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-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP GSK3B 1/4885CCNB2 1243/4885CDK1 20/4885

“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.