SCHEMBL1319905

SCHEMBL1319905

CNc1nc(-c2ccc(C#N)c(F)c2)cc(N2CC(C(=O)NCc3ccccc3)CC2C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.44
AURKB Q96GD4 4/20 0.44
ROCK1 Q13464 3/20 0.44
EGLN1 Q9GZT9 1/20 0.40
EPHX2 P34913 3/20 0.40
AURKA O14965 2/20 0.39
PIK3CG P48736 1/20 0.39
PDK1 Q15118 1/20 0.39
RET P07949 1/20 0.38
CHRM4 P08173 3/20 0.38
CHRM2 P08172 2/20 0.38
MTOR P42345 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL1319900 1.00 PDPK1 (0.44) PDPK1AURKBROCK1EGLN1EPHX2
SCHEMBL1318312 1.00 PDPK1 (0.44) PDPK1AURKBROCK1EGLN1EPHX2
SCHEMBL1317971 0.93 PDPK1 (0.52) PDPK1AURKBROCK1EGLN1EPHX2
SCHEMBL13354835 0.88 PDPK1 (0.49) PDPK1AURKBROCK1EPHX2AURKA
SCHEMBL1318117 0.87 PDPK1 (0.43) PDPK1AURKBROCK1EGLN1EPHX2
SCHEMBL1317212 0.87 PDPK1 (0.47) PDPK1AURKBROCK1EGLN1EPHX2
SCHEMBL1318119 0.87 PDPK1 (0.43) PDPK1AURKBROCK1EGLN1EPHX2
SCHEMBL1318116 0.87 PDPK1 (0.43) PDPK1AURKBROCK1EGLN1EPHX2
SCHEMBL1317591 0.84 PDPK1 (0.49) PDPK1AURKBROCK1EPHX2AURKA
SCHEMBL1320751 0.83 PDPK1 (0.52) PDPK1AURKBROCK1EGLN1AURKA

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 6 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
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.