SCHEMBL1317985

SCHEMBL1317985

C[C@@H]1CO[C@H](CO)CN1c1cc(-c2ccc(C#N)c(F)c2)nc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.45
PDPK1 O15530 3/20 0.41
ROCK1 Q13464 3/20 0.41
AURKB Q96GD4 3/20 0.41
AURKA O14965 2/20 0.41
KDM1A O60341 5/20 0.40
CYP11B1 P15538 11/20 0.39
CYP11B2 P19099 11/20 0.39

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
SCHEMBL2452185 0.92 MTOR (0.45) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1317359 0.92 MTOR (0.45) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL2446206 0.92 MTOR (0.45) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1318676 0.88 MTOR (0.44) MTORPDPK1AURKBKDM1ACYP11B1
SCHEMBL1317478 0.87 MTOR (0.41) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1317751 0.85 PDPK1 (0.41) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1317660 0.85 PDPK1 (0.51) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1326032 0.85 PDPK1 (0.51) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1318413 0.84 PDPK1 (0.45) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL1318283 0.83 PDPK1 (0.51) 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 235/4885PDPK1 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.