SCHEMBL1317471

SCHEMBL1317471

CNc1nc(-c2cc(F)c(C#N)c(SC)c2)cc(N2CCC[C@H]2C)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 1/20 0.38
▸ LRRK2 Q5S007 6/20 0.35
▸ KHK P50053 5/20 0.34
▸ SYK P43405 2/20 0.33
▸ PDPK1 O15530 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ MAP3K12 Q12852 1/20 0.32

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
SCHEMBL1318311 0.91 EGLN2 (0.40) EGLN2LRRK2KHKSYKPDPK1
SCHEMBL1319227 0.88 MAP4K1 (0.33) EGLN2SYKPDPK1AURKBADORA1
SCHEMBL1318381 0.87 MTOR (0.43) LRRK2PDPK1AURKBAURKAROCK1
SCHEMBL12122825 0.87 EGLN2 (0.37) EGLN2LRRK2KHKSYKPDPK1
SCHEMBL1317696 0.85 ADORA1 (0.38) EGLN2LRRK2KHKSYKPDPK1
SCHEMBL1317511 0.85 EGLN2 (0.36) EGLN2LRRK2KHKSYKPDPK1
SCHEMBL1317719 0.80 AURKA (0.39) LRRK2PDPK1AURKBAURKAROCK1
SCHEMBL1317272 0.80 ADORA1 (0.34) KHKADORA1ADORA2B
SCHEMBL1318731 0.79 AR (0.35) EGLN2SYKPDPK1AURKBAURKA
SCHEMBL1318131 0.78 MTOR (0.45) LRRK2PDPK1AURKBAURKAROCK1

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 EGLN2 2476/4885LRRK2 1656/4885KHK 273/4885

“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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