SCHEMBL1317643

SCHEMBL1317643

Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCOC(C(=O)Nc3ccccc3)C2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 1.00
AURKB Q96GD4 15/20 1.00
AURKA O14965 11/20 1.00
ROCK1 Q13464 10/20 1.00
TGFBR1 P36897 1/20 0.65

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
SCHEMBL1319260 0.86 PDPK1 (0.91) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1319703 0.86 PDPK1 (1.00) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317520 0.85 PDPK1 (1.00) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1319787 0.85 PDPK1 (1.00) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1320350 0.84 PDPK1 (0.85) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317255 0.80 PDPK1 (0.67) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318451 0.79 PDPK1 (1.00) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317352 0.78 PDPK1 (0.63) PDPK1AURKBAURKAROCK1
SCHEMBL16966478 0.78 PDPK1 (0.84) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL16966479 0.78 PDPK1 (0.84) 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 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.