SCHEMBL12119114

SCHEMBL12119114

CC1CCC(NC(=O)OC(C)(C)C)CN1c1cc(-c2ccc(C#N)c(F)c2)nc(N)n1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 10/20 0.67
▸ AURKB Q96GD4 10/20 0.67
▸ AURKA O14965 8/20 0.67
▸ KDM4D Q6B0I6 1/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ GPR119 Q8TDV5 2/20 0.43
▸ SUV39H2 Q9H5I1 4/20 0.43
▸ EGLN2 Q96KS0 1/20 0.42
▸ TGFBR1 P36897 1/20 0.40
▸ RET P07949 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39

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
SCHEMBL12119499 1.00 PDPK1 (0.67) PDPK1AURKBAURKAKDM4DROCK1
SCHEMBL12119531 0.91 PDPK1 (0.55) PDPK1AURKBAURKAKDM4DROCK1
SCHEMBL13354853 0.90 PDPK1 (0.72) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL3126962 0.89 PDPK1 (0.51) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL16966440 0.89 PDPK1 (0.51) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1318419 0.89 PDPK1 (0.51) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12119301 0.88 PDPK1 (0.54) PDPK1AURKBAURKAROCK1EGLN2
SCHEMBL12119789 0.86 PDPK1 (0.67) PDPK1AURKBAURKAKDM4DSUV39H2
SCHEMBL16977385 0.86 PDPK1 (0.67) PDPK1AURKBAURKAKDM4DSUV39H2
SCHEMBL12119175 0.86 PDPK1 (0.50) 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 3 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

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.

Send feedback