SCHEMBL1318094

SCHEMBL1318094

C[C@@H]1CC[C@H](NC(=O)Cc2ccccc2)CN1c1cc(-c2ccc(C#N)c(F)c2)nc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 10/20 0.47
▸ AURKB Q96GD4 10/20 0.47
▸ AURKA O14965 7/20 0.47
▸ ROCK1 Q13464 6/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ USP30 Q70CQ3 2/20 0.40
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ CHRM2 P08172 1/20 0.37

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
SCHEMBL12122773 0.90 PDPK1 (0.50) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12119175 0.90 PDPK1 (0.50) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL3126962 0.90 PDPK1 (0.51) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL16966440 0.90 PDPK1 (0.51) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318419 0.90 PDPK1 (0.51) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318488 0.89 PDPK1 (0.48) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1320751 0.84 PDPK1 (0.52) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12119114 0.84 PDPK1 (0.67) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12119499 0.84 PDPK1 (0.67) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317186 0.83 PDPK1 (0.43) PDPK1AURKBAURKAROCK1TGFBR1

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 5 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

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 12/4885AURKB 262/4885AURKA 298/4885

“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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