SCHEMBL5458638

SCHEMBL5458638

CCCC(C)NC(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.65
MAPK11 Q15759 2/20 0.65
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAP2K1 Q02750 1/20 0.48

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
SCHEMBL5467937 0.88 MAPK14 (0.61) MAPK14MAPK11MAP2K1
SCHEMBL4862425 0.87 MAPK14 (0.69) MAPK14MAPK11
SCHEMBL4857439 0.85 MAPK14 (0.72) MAPK14MAPK11NPC1RAB9A
SCHEMBL5458558 0.85 MAPK14 (0.65) MAPK14MAPK11MAP2K1
SCHEMBL5466656 0.85 MAPK14 (0.65) MAPK14MAPK11MAP2K1
SCHEMBL5466893 0.82 MAPK14 (0.62) MAPK14MAPK11MAP2K1
SCHEMBL5456085 0.82 MAPK14 (0.73) MAPK14MAPK11
SCHEMBL4864384 0.82 MAPK14 (0.74) MAPK14MAPK11MAP2K1
SCHEMBL5458542 0.81 MAPK14 (0.68) MAPK14MAPK11MAP2K1
SCHEMBL5461073 0.81 MAPK14 (0.69) MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112046-A1 2'-Methyl-5'-(1,3,4-Oxadiazol-2-yl)-1,1'-Biphenyl-4-Carboxamide Derivatives and Their Use As P38 Kinase Inhibitors GLAXO GROUP LIMITED 2007-05-17 US claimed
US-7166623-B2 2′-Methyl-5′-(1,3,4-oxadiazol-2-yl)-1,1′-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US claimed
US-20070112046-A1 2'-Methyl-5'-(1,3,4-Oxadiazol-2-yl)-1,1'-Biphenyl-4-Carboxamide Derivatives and Their Use As P38 Kinase Inhibitors GLAXO GROUP LIMITED 2007-05-17 US disclosed
US-7166623-B2 2′-Methyl-5′-(1,3,4-oxadiazol-2-yl)-1,1′-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-20050090491-A1 2'-Methyl-5'-(1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-04-28 US disclosed
EP-1435950-A1 2'-METHYL-5'-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032987-A1 2'-METHYL-5'-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 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 (2 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-20070112046-A1 2'-Methyl-5'-(1,3,4-Oxadiazol-2-yl)-1,1'-Biphenyl-4-Carboxamide Derivatives and Their Use As P38 Kinase Inhibitors MAPK1, MAPK3, MAPKAPK2 MAPK14 7/4885MAPK11 36/4885NPC1 2207/4885
US-20050090491-A1 2'-Methyl-5'-(1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GRK4, MAPK4, MAPK1 MAPK14 19/4885MAPK11 64/4885NPC1 3562/4885

“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.