SCHEMBL6079210

SCHEMBL6079210

CC(C)(C)OC(=O)Nc1cccc(COc2cnccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 8/20 0.51
NAMPT P43490 2/20 0.47
SIRT3 Q9NTG7 7/20 0.46
SIRT1 Q96EB6 6/20 0.46
SYK P43405 1/20 0.46
AURKA O14965 2/20 0.46
RPS6KB1 P23443 2/20 0.46
CYP17A1 P05093 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
F2RL3 Q96RI0 1/20 0.41

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
SCHEMBL6079858 0.81 SYK (0.45) NAMPTSYKCYP17A1
SCHEMBL18213795 0.78 SIRT2 (0.52) SIRT2NAMPTSYKAURKARPS6KB1
SCHEMBL14305094 0.78 SIRT2 (0.52) SIRT2SYKAURKARPS6KB1CYP17A1
SCHEMBL6079543 0.78 KMT2A (0.49) SIRT2SIRT3SIRT1
SCHEMBL26326355 0.78 SIRT2 (0.51) SIRT2SIRT3SIRT1SYKAURKA
SCHEMBL2675781 0.77 AURKA (0.49) SIRT2NAMPTAURKARPS6KB1CYP17A1
SCHEMBL18347092 0.77 SIRT2 (0.76) SIRT2SIRT3SIRT1
SCHEMBL6227683 0.76 SIRT2 (0.42) SIRT2SIRT3SIRT1
SCHEMBL27498370 0.76 CYP3A4 (0.50) SIRT2NAMPTSYKAURKARPS6KB1
SCHEMBL31139283 0.75 SIRT2 (0.50) SIRT2NAMPTSYKAURKARPS6KB1

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
US-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2006-03-23 US disclosed
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 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-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors MAPK1, MAPK3, MAPK10 SIRT2 1669/4885NAMPT 1734/4885SIRT3 1402/4885

“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.