SCHEMBL12119819

SCHEMBL12119819

C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(c2cc(-c3ccc(C#N)c(F)c3)nc(N)n2)C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.67
▸ PDPK1 O15530 8/20 0.67
▸ AURKB Q96GD4 8/20 0.67
▸ EGLN2 Q96KS0 1/20 0.42
▸ SUV39H2 Q9H5I1 3/20 0.41
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ KDM4D Q6B0I6 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ RET P07949 5/20 0.40

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
SCHEMBL12119839 0.90 AURKA (0.54) AURKAPDPK1AURKBEGLN2SUV39H2
SCHEMBL12119823 0.90 AURKA (0.63) AURKAPDPK1AURKBSUV39H2EIF2AK4
SCHEMBL16966477 0.89 AURKA (0.51) AURKAPDPK1AURKBEGLN2
SCHEMBL16977385 0.88 PDPK1 (0.67) AURKAPDPK1AURKBSUV39H2KDM4D
SCHEMBL12119789 0.88 PDPK1 (0.67) AURKAPDPK1AURKBSUV39H2KDM4D
SCHEMBL13354794 0.87 AURKA (0.68) AURKAPDPK1AURKBEIF2AK4
SCHEMBL12119825 0.85 AURKA (0.58) AURKAPDPK1AURKBSUV39H2EIF2AK4
SCHEMBL12119499 0.84 PDPK1 (0.67) AURKAPDPK1AURKBEGLN2SUV39H2
SCHEMBL12119114 0.84 PDPK1 (0.67) AURKAPDPK1AURKBEGLN2SUV39H2
SCHEMBL12119846 0.84 AURKA (0.56) AURKAPDPK1AURKBEGLN2GPR119

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 AURKA 298/4885PDPK1 12/4885AURKB 262/4885

“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.

Send feedback