SCHEMBL1318352

SCHEMBL1318352

CNc1nc(Cl)cc(N2C[C@H](N(C(=O)O)C(C)(C)C)CC[C@@H]2C)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.36
AURKB Q96GD4 5/20 0.36
ROCK1 Q13464 2/20 0.36
AURKA O14965 3/20 0.34
PIK3CG P48736 1/20 0.34
PDK1 Q15118 1/20 0.34
KHK P50053 4/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
PDE10A Q9Y233 1/20 0.31
EPHX2 P34913 1/20 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
SCHEMBL1318986 0.85 LMNA (0.41) PDPK1AURKBROCK1AURKA
SCHEMBL1318681 0.85 LMNA (0.41) PDPK1AURKBROCK1AURKA
SCHEMBL1318984 0.85 LMNA (0.41) PDPK1AURKBROCK1AURKA
SCHEMBL1317316 0.82 CCNC (0.37) CCNCCDK8EPHX2
SCHEMBL1318713 0.80 AURKA (0.43) PDPK1AURKBAURKACCNCCDK8
SCHEMBL1317034 0.79 PDPK1 (0.45) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL16966480 0.78 PDPK1 (0.42) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1317785 0.77 PDPK1 (0.42) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1317753 0.76 PDPK1 (0.67) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL12119506 0.76 AURKA (0.51) PDPK1AURKBROCK1AURKAPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 PDPK1 12/4885AURKB 262/4885ROCK1 266/4885

“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.