SCHEMBL1318381

SCHEMBL1318381

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 11/20 0.43
▸ ATR Q13535 5/20 0.40
▸ ATRIP Q8WXE1 4/20 0.40
▸ PDPK1 O15530 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ LRRK2 Q5S007 1/20 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 0.92 MTOR (0.45) MTORATRATRIPPDPK1ROCK1
SCHEMBL1317719 0.89 AURKA (0.39) MTORATRATRIPPDPK1ROCK1
SCHEMBL1317859 0.87 MTOR (0.42) MTORATRATRIPPDPK1ROCK1
SCHEMBL1317471 0.87 EGLN2 (0.38) PDPK1ROCK1AURKBAURKALRRK2
SCHEMBL1319269 0.81 MTOR (0.61) MTORATRATRIPPDPK1ROCK1
SCHEMBL1317743 0.81 ADORA2A (0.41) MTORATRATRIPCHEK1PDCD1
SCHEMBL1319425 0.81 MTOR (0.38) MTORATRATRIPCHEK1PDCD1
SCHEMBL1319290 0.80 PDPK1 (0.42) MTORATRPDPK1ROCK1AURKB
SCHEMBL1318487 0.80 AURKA (0.42) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL2512987 0.80 AURKA (0.42) MTORPDPK1ROCK1AURKBAURKA

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 235/4885ATR 790/4885ATRIP 850/4885

“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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