SCHEMBL1317217

SCHEMBL1317217

CNc1nc(Cl)cc(N2C[C@H](C(=O)NC3CCCCC3)CC[C@@H]2C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 4/20 0.48
▸ AURKB Q96GD4 4/20 0.48
▸ AURKA O14965 2/20 0.48
▸ ROCK1 Q13464 2/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ PDK1 Q15118 1/20 0.48
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ TSHR P16473 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ EPHX2 P34913 3/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTGES O14684 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD11B1 P28845 1/20 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
SCHEMBL1317219 1.00 PDPK1 (0.48) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1317221 1.00 PDPK1 (0.48) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1319773 0.99 PDPK1 (0.47) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1319776 0.99 PDPK1 (0.47) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1319780 0.99 PDPK1 (0.47) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318217 0.89 CNR1 (0.43) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL14804589 0.87 PDPK1 (0.61) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1319357 0.87 PDPK1 (0.61) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1316839 0.87 CNR1 (0.40) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1319304 0.87 EPHX2 (0.40) PDPK1AURKBAURKAROCK1PIK3CG

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 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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