SCHEMBL1318521

SCHEMBL1318521

CCOc1cc(-c2cc(N3CCOC[C@H]3C(C)C)nc(N)n2)cc(F)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 4/20 0.49
▸ AURKA O14965 3/20 0.49
▸ ROCK1 Q13464 3/20 0.49
▸ AURKB Q96GD4 3/20 0.49
▸ MTOR P42345 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HRH4 Q9H3N8 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ HTR1A P08908 1/20 0.34

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
SCHEMBL1318732 0.91 PDPK1 (0.51) PDPK1AURKAROCK1AURKBMTOR
SCHEMBL1319013 0.90 PDPK1 (0.57) PDPK1AURKAROCK1AURKBMTOR
SCHEMBL1317622 0.89 AURKA (0.37) PDPK1AURKAROCK1AURKBMTOR
SCHEMBL1318623 0.80 PDPK1 (0.61) PDPK1AURKAROCK1AURKBMTOR
SCHEMBL1318542 0.79 PDPK1 (0.68) PDPK1AURKAROCK1AURKBLRRK2
SCHEMBL1317566 0.79 AURKA (0.39) PDPK1AURKAROCK1AURKBMTOR
SCHEMBL1317828 0.79 PDPK1 (0.57) PDPK1AURKAROCK1AURKBMTOR
SCHEMBL1319287 0.77 PDPK1 (0.55) PDPK1AURKAROCK1AURKBMTOR
SCHEMBL1318487 0.77 AURKA (0.42) PDPK1AURKAROCK1AURKBMTOR
SCHEMBL2512987 0.77 AURKA (0.42) PDPK1AURKAROCK1AURKBMTOR

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 9 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
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 PDPK1 12/4885AURKA 298/4885ROCK1 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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