SCHEMBL1318103

SCHEMBL1318103

CC[C@@H]1CCCN1c1cc(-c2cc(OC)c3c(N)n[nH]c3c2)nc(NC)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 16/20 0.47
▸ AURKB Q96GD4 12/20 0.47
▸ AURKA O14965 8/20 0.44
▸ ROCK1 Q13464 5/20 0.44
▸ PIK3CG P48736 1/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ TGFBR1 P36897 1/20 0.40
▸ NEK2 P51955 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ MAP4K1 Q92918 2/20 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
SCHEMBL1319651 0.92 PDPK1 (0.47) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318241 0.89 PDPK1 (0.52) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318982 0.88 PDPK1 (0.59) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318829 0.87 PDPK1 (0.41) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318670 0.86 PDPK1 (0.47) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1321293 0.83 PDPK1 (0.49) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL16966499 0.82 PDPK1 (0.39) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1317180 0.81 PDPK1 (0.56) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1317364 0.80 PDPK1 (0.58) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL16966455 0.80 PDPK1 (0.52) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP claimed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 — — US claimed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US claimed
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
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 12/4885AURKB 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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