SCHEMBL1320516

SCHEMBL1320516

COc1ccc(CNC(=O)[C@H]2CC[C@@H](C)N(c3cc(-c4ccc5c(N)n[nH]c5c4)nc(N)n3)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 0.68
AURKB Q96GD4 19/20 0.68
AURKA O14965 13/20 0.68
ROCK1 Q13464 11/20 0.68
TGFBR1 P36897 2/20 0.68
PIK3CG P48736 1/20 0.58
PDK1 Q15118 1/20 0.58

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
SCHEMBL1318975 0.92 PDPK1 (0.68) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1319090 0.92 PDPK1 (0.71) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1321262 0.91 PDPK1 (0.70) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318704 0.91 PDPK1 (0.79) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1319875 0.87 PDPK1 (0.70) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318420 0.86 PDPK1 (0.69) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318522 0.85 PDPK1 (0.70) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12122698 0.85 PDPK1 (0.48) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL13354871 0.85 PDPK1 (0.61) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL13354769 0.84 PDPK1 (0.68) PDPK1AURKBAURKAROCK1TGFBR1

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 262/4885AURKA 298/4885

“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.