SCHEMBL1317859

SCHEMBL1317859

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 10/20 0.42
▸ PIK3CA P42336 4/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PDPK1 O15530 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ ATR Q13535 4/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ ATRIP Q8WXE1 2/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ BRAF P15056 2/20 0.36

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
SCHEMBL1318131 0.93 MTOR (0.45) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1318381 0.87 MTOR (0.43) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL12122825 0.87 EGLN2 (0.37) PDPK1ROCK1AURKBAURKA
SCHEMBL1319269 0.83 MTOR (0.61) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1317743 0.83 ADORA2A (0.41) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL1319425 0.82 MTOR (0.38) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL2512987 0.81 AURKA (0.42) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1319290 0.81 PDPK1 (0.42) MTORPIK3CAPDPK1ROCK1AURKB
SCHEMBL1318487 0.81 AURKA (0.42) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1319287 0.79 PDPK1 (0.55) MTORPIK3CAPDPK1ROCK1AURKB

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 8 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

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 MTOR 235/4885PIK3CA 80/4885PIK3CD 180/4885

“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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