SCHEMBL12119837

SCHEMBL12119837

CNc1nc(-c2cc(OC)c3c(N)n[nH]c3c2)cc(N2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 13/20 0.66
▸ AURKB Q96GD4 13/20 0.66
▸ AURKA O14965 10/20 0.66
▸ ROCK1 Q13464 3/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ BTK Q06187 1/20 0.38
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ SUV39H2 Q9H5I1 5/20 0.35

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
SCHEMBL12119828 0.92 PDPK1 (0.78) PDPK1AURKBAURKAROCK1BTK
SCHEMBL3132798 0.90 PDPK1 (0.52) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL12119799 0.88 PDPK1 (0.66) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL12119838 0.88 PDPK1 (0.84) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL13354875 0.86 AURKA (0.52) PDPK1AURKBAURKAEIF2AK4SUV39H2
SCHEMBL1317386 0.82 PDPK1 (0.60) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL13354730 0.82 PDPK1 (0.56) PDPK1AURKBAURKABTKEIF2AK4
SCHEMBL3127259 0.81 PDPK1 (0.62) PDPK1AURKBAURKAROCK1
SCHEMBL12119841 0.81 AURKA (0.47) PDPK1AURKBAURKABTKEIF2AK4
SCHEMBL12119820 0.79 PDPK1 (1.00) PDPK1AURKBAURKAROCK1

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 4 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-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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