SCHEMBL9899757

SCHEMBL9899757

CC(C)(C)OC(=O)N(c1cccc(C#N)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
NR1H3 Q13133 1/20 0.37
CLK1 P49759 1/20 0.36
KCNN4 O15554 1/20 0.36
KCNA5 P22460 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PTPN5 P54829 1/20 0.35
CNR2 P34972 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
GSK3B P49841 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
VNN1 O95497 1/20 0.34
BRD4 O60885 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL1008386 0.83 PDK1 (0.40) PDK1PDK2PDK3PDK4CLK1
SCHEMBL9899832 0.80 PDK1 (0.42) PDK1PDK2PDK3PDK4NR1H3
SCHEMBL1008388 0.80 PDK1 (0.38) PDK1PDK2PDK3PDK4CLK1
SCHEMBL5559017 0.78 MEN1 (0.39) GSK3BBRD4
SCHEMBL4837137 0.77 MAOB (0.40) PDK1PDK2PDK3PDK4KCNN4
SCHEMBL9900418 0.76 LOXL2 (0.40) BRD4
SCHEMBL22289675 0.76 CLK1 (0.39) PDK1PDK2PDK3PDK4CLK1
SCHEMBL27699056 0.75 PDK1 (0.37) PDK1PDK2PDK3PDK4CLK1
SCHEMBL28024917 0.73 MT-CO2 (0.32)
SCHEMBL1010216 0.72 MEP1A (0.50) PDK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES PDK1 889/4885PDK2 934/4885PDK3 1093/4885

“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.