SCHEMBL1318487

SCHEMBL1318487

CNc1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2CCOC[C@H]2C(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ MTOR P42345 4/20 0.36
▸ IDH1 O75874 3/20 0.36
▸ ADORA1 P30542 8/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ADORA2B P29275 3/20 0.33
▸ ADORA2A P29274 3/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ PIK3C3 Q8NEB9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2512987 1.00 AURKA (0.42) AURKAPDPK1ROCK1AURKBMTOR
SCHEMBL1317566 0.92 AURKA (0.39) AURKAPDPK1ROCK1AURKBMTOR
SCHEMBL1317719 0.92 AURKA (0.39) AURKAPDPK1ROCK1AURKBMTOR
SCHEMBL1317622 0.90 AURKA (0.37) AURKAPDPK1ROCK1AURKBMTOR
SCHEMBL1318131 0.87 MTOR (0.45) AURKAPDPK1ROCK1AURKBMTOR
SCHEMBL1319013 0.86 PDPK1 (0.57) AURKAPDPK1ROCK1AURKBMTOR
SCHEMBL1319290 0.85 PDPK1 (0.42) AURKAPDPK1ROCK1AURKBMTOR
SCHEMBL1317859 0.81 MTOR (0.42) AURKAPDPK1ROCK1AURKBMTOR
SCHEMBL1318381 0.80 MTOR (0.43) AURKAPDPK1ROCK1AURKBMTOR
SCHEMBL1318732 0.79 PDPK1 (0.51) AURKAPDPK1ROCK1AURKBMTOR

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 9 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
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 — — EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO 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 AURKA 298/4885PDPK1 12/4885ROCK1 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.

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