SCHEMBL1318182

SCHEMBL1318182

CNc1nc(-c2ccc3c(N(C(=O)O)C(C)(C)C)n[nH]c3c2)cc(N2C[C@@H](C(=O)Nc3ccccc3)CC[C@H]2C)n1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 17/20 0.77
AURKB Q96GD4 16/20 0.77
ROCK1 Q13464 10/20 0.77
AURKA O14965 11/20 0.65
TGFBR1 P36897 1/20 0.65
PIK3CG P48736 1/20 0.59
PDK1 Q15118 1/20 0.59
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
AAK1 Q2M2I8 2/20 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
SCHEMBL1316853 0.87 PDPK1 (1.00) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1319103 0.87 PDPK1 (0.86) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL12118796 0.84 PDPK1 (0.76) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1318451 0.79 PDPK1 (1.00) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL2477825 0.78 PDPK1 (0.67) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1318996 0.77 PDPK1 (0.80) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1320752 0.77 PDPK1 (0.68) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL1317753 0.76 PDPK1 (0.67) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL16966478 0.74 PDPK1 (0.84) PDPK1AURKBROCK1AURKATGFBR1
SCHEMBL16966479 0.74 PDPK1 (0.84) PDPK1AURKBROCK1AURKATGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.