SCHEMBL2216103

SCHEMBL2216103

CCNC(=O)c1ccc(C)c(-c2ccc3c(-c4ccc(C#N)cc4)n[nH]c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
EGLN1 Q9GZT9 3/20 0.42
MAPK14 Q16539 1/20 0.42
FASN P49327 9/20 0.41
CHEK1 O14757 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 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
SCHEMBL2217263 0.88 MAPK14 (0.44) MAPK14CHEK1MAPK1BCHEACHE
SCHEMBL2215356 0.88 ACHE (0.49) TRPA1MAPK14CHEK1HSP90AB1MAPK1
SCHEMBL2217915 0.86 KDM4E (0.47) TRPA1MAPK14CHEK1BCHEACHE
SCHEMBL2217969 0.85 TRPA1 (0.56) TRPA1EGLN1MAPK14MAPK1
SCHEMBL2215293 0.85 MAPK14 (0.44) TRPA1MAPK14CHEK1BCHEACHE
SCHEMBL2215777 0.82 MAPK14 (0.41) MAPK14CHEK1HSP90AB1MAPK1BCHE
SCHEMBL2216227 0.81 MAPT (0.42) MAPK14CHEK1
SCHEMBL2216299 0.80 GSK3A (0.46) MAPK14
SCHEMBL5563411 0.79 KDM4E (0.47) TRPA1MAPK14CHEK1BCHEACHE
SCHEMBL4352449 0.77 KDM4E (0.51) TRPA1MAPK1

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-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP disclosed
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 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-20070161673-A1 P38 kinase inhibitors MAPK1, MAPK7, MAP3K1 TRPA1 3678/4885EGLN1 2796/4885MAPK14 14/4885

“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.