SCHEMBL1317328

SCHEMBL1317328

CNc1nc(-c2ccc(C#N)c(F)c2)cc(N2CC(C(=O)NC3CCCCC3)CCC2C(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 7/20 0.54
AURKB Q96GD4 6/20 0.54
ROCK1 Q13464 4/20 0.54
AURKA O14965 2/20 0.54
PIK3CG P48736 1/20 0.54
PDK1 Q15118 1/20 0.54
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
EGLN2 Q96KS0 6/20 0.37
PDE4D Q08499 1/20 0.37
KDM1A O60341 5/20 0.37

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
SCHEMBL1317332 1.00 PDPK1 (0.54) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1317327 1.00 PDPK1 (0.54) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1319135 0.99 PDPK1 (0.53) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1319134 0.99 PDPK1 (0.53) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1319137 0.99 PDPK1 (0.53) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1318575 0.91 PDPK1 (0.65) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL12122771 0.88 PDPK1 (0.60) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1317603 0.86 PDPK1 (0.41) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1317605 0.86 PDPK1 (0.41) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1317604 0.86 PDPK1 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
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
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.