SCHEMBL1317808

SCHEMBL1317808

CNc1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2C[C@H](C)C[C@@H](N(C(=O)O)C(C)(C)C)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.45
▸ PDPK1 O15530 3/20 0.45
▸ AURKB Q96GD4 3/20 0.45
▸ KHK P50053 13/20 0.36
▸ ADORA1 P30542 3/20 0.31
▸ ADORA2B P29275 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL1318715 0.93 AURKA (0.43) AURKAPDPK1AURKBKHKADORA1
SCHEMBL1318659 0.90 AURKA (0.48) AURKAPDPK1AURKB
SCHEMBL1317905 0.88 AURKA (0.45) AURKAPDPK1AURKBKHK
SCHEMBL1318215 0.87 KHK (0.35) AURKAPDPK1AURKBKHK
SCHEMBL16966439 0.82 AURKA (0.38) AURKAPDPK1AURKBKHKADORA1
SCHEMBL1318421 0.82 AURKA (0.41) AURKAPDPK1AURKBKHKADORA1
SCHEMBL1318597 0.81 CHRM2 (0.34) AURKAPDPK1AURKBKHKADORA1
SCHEMBL12119836 0.80 AURKA (0.51) AURKAPDPK1AURKB
SCHEMBL1318713 0.79 AURKA (0.43) AURKAPDPK1AURKB
SCHEMBL1318843 0.78 AURKA (0.48) AURKAPDPK1AURKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 AURKA 298/4885PDPK1 12/4885AURKB 262/4885

“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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