SCHEMBL4093059

SCHEMBL4093059

COCCN(C)Cc1ccc(-c2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)nc3)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.57
TNF P01375 3/20 0.57
MAPK12 P53778 7/20 0.53
ABL1 P00519 1/20 0.53
RAF1 P04049 1/20 0.53
LYN P07948 1/20 0.53
SRC P12931 1/20 0.53
MAPK9 P45984 1/20 0.53
HCK P08631 6/20 0.51

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
SCHEMBL4088539 0.94 MAPK14 (0.57) MAPK14TNFMAPK12ABL1RAF1
SCHEMBL7681657 0.88 MAPK14 (0.57) MAPK14TNFMAPK12ABL1RAF1
SCHEMBL4088544 0.87 MAPK14 (0.60) MAPK14TNFMAPK12ABL1RAF1
SCHEMBL4092132 0.86 MAPK14 (0.56) MAPK14TNFMAPK12ABL1RAF1
SCHEMBL4085911 0.85 MAPK14 (0.53) MAPK14TNFMAPK12ABL1RAF1
SCHEMBL4087767 0.83 MAPK14 (0.57) MAPK14TNFMAPK12ABL1RAF1
SCHEMBL4092182 0.83 MAPK14 (0.56) MAPK14TNFMAPK12ABL1RAF1
SCHEMBL4086241 0.82 MAPK14 (0.61) MAPK14TNFMAPK12ABL1RAF1
SCHEMBL4094234 0.82 MAPK14 (0.63) MAPK14TNFMAPK12ABL1RAF1
SCHEMBL4093091 0.81 MAPK14 (0.55) MAPK14TNFMAPK12ABL1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 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-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 MAPK14 74/4885TNF 745/4885MAPK12 94/4885

“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.