SCHEMBL1320023

SCHEMBL1320023

COc1cc(-c2cc(N3CCOCC3)nc(N)n2)cc2[nH]nc(N)c12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 8/20 0.67
▸ AURKB Q96GD4 4/20 0.50
▸ AURKA O14965 3/20 0.50
▸ ROCK1 Q13464 3/20 0.50
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ MAP2K7 O14733 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LRRK2 Q5S007 2/20 0.43
▸ MAP3K12 Q12852 1/20 0.43

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
SCHEMBL1319014 0.86 PDPK1 (0.70) PDPK1AURKBAURKAROCK1AKT1
SCHEMBL1321902 0.85 PDPK1 (0.73) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317000 0.84 PDPK1 (0.71) PDPK1AURKBAURKAROCK1AKT1
SCHEMBL1317805 0.80 PDPK1 (1.00) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL16966525 0.76 PDPK1 (0.67) PDPK1AURKBAURKAROCK1AKT1
SCHEMBL1316962 0.76 PDPK1 (0.67) PDPK1AURKBAURKAROCK1AKT1
SCHEMBL1317185 0.76 PDPK1 (0.67) PDPK1AURKBAURKAROCK1AKT1
SCHEMBL1319765 0.76 PDPK1 (0.71) PDPK1AURKBAURKAROCK1PIK3CA
SCHEMBL1317180 0.75 PDPK1 (0.56) PDPK1AURKBAURKAROCK1AKT1
SCHEMBL13153786 0.75 PDPK1 (0.58) PDPK1AURKBAURKAROCK1CRHBP

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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