SCHEMBL1317743

SCHEMBL1317743

CNc1nc(-c2cc(F)c(C#N)c(-c3ccco3)c2)cc(N2CCOC[C@H]2C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ MTOR P42345 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ADORA2B P29275 2/20 0.38
▸ ATR Q13535 8/20 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 0.87 MTOR (0.45) MTORATRATRIPCHEK1PDCD1
SCHEMBL1317859 0.83 MTOR (0.42) MTORATRATRIPRAF1BRAF
SCHEMBL1318381 0.81 MTOR (0.43) MTORATRATRIPCHEK1PDCD1
SCHEMBL1319269 0.79 MTOR (0.61) MTORATRATRIP
SCHEMBL1318146 0.78 PDPK1 (0.53) ATRATRIP
SCHEMBL2512987 0.78 AURKA (0.42) ADORA2AADORA1MTORKDM4EADORA2B
SCHEMBL1318487 0.78 AURKA (0.42) ADORA2AADORA1MTORKDM4EADORA2B
SCHEMBL1319290 0.78 PDPK1 (0.42) ADORA1MTORADORA2BATRPIK3CA
SCHEMBL1319425 0.77 MTOR (0.38) MTORATRATRIPRAF1BRAF
SCHEMBL1318311 0.74 EGLN2 (0.40) ADORA2AADORA1ADORA2B

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 ADORA2A 1537/4885ADORA1 1104/4885MTOR 235/4885

“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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