SCHEMBL1319269

SCHEMBL1319269

CNc1nc(-c2ccc(C#N)c(F)c2)cc(N2CCOC[C@H]2C)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 15/20 0.61
▸ PDPK1 O15530 2/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ ATR Q13535 1/20 0.41
▸ ATRIP Q8WXE1 1/20 0.41
▸ KDM1A O60341 1/20 0.41

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
SCHEMBL1319291 0.88 MTOR (0.49) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1318131 0.87 MTOR (0.45) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1319389 0.86 MTOR (0.62) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1317988 0.86 MTOR (0.47) MTORPDPK1AURKBCYP11B1CYP11B2
SCHEMBL1317859 0.83 MTOR (0.42) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1318676 0.82 MTOR (0.44) MTORPDPK1AURKBCYP11B1CYP11B2
SCHEMBL1318381 0.81 MTOR (0.43) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1318695 0.81 PDPK1 (0.51) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1318720 0.81 MTOR (0.42) MTORPDPK1AURKBCYP11B1CYP11B2
SCHEMBL1318723 0.81 MTOR (0.42) MTORPDPK1AURKBCYP11B1CYP11B2

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 235/4885PDPK1 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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