SCHEMBL1318700

SCHEMBL1318700

Nc1nc(-c2cc(F)c3c(N)n[nH]c3c2)cc(N2CCC[C@H](C(=O)NC3CCCCC3)C2)n1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 18/20 0.77
AURKB Q96GD4 14/20 0.77
ROCK1 Q13464 8/20 0.77
AURKA O14965 10/20 0.58
PIK3CG P48736 1/20 0.48
PDK1 Q15118 1/20 0.48
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3CD O00329 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL1318079 0.87 PDPK1 (1.00) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1320029 0.86 PDPK1 (0.79) PDPK1AURKBROCK1AURKAPIK3CD
SCHEMBL1320159 0.84 PDPK1 (0.62) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1318854 0.80 PDPK1 (0.88) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1318709 0.78 PDPK1 (0.78) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL13354767 0.76 PDPK1 (0.62) PDPK1AURKBROCK1AURKAPIK3CG
SCHEMBL1318555 0.76 PDPK1 (0.80) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1320366 0.76 PDPK1 (0.80) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1319259 0.75 PDPK1 (0.85) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1317503 0.75 PDPK1 (0.61) PDPK1AURKBROCK1AURKAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP claimed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US claimed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US claimed
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
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 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-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.