SCHEMBL2216227

SCHEMBL2216227

CCNC(=O)c1ccc(C)c(-c2ccc3c(-c4cccc(F)c4)n[nH]c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MAPK14 Q16539 1/20 0.40
CDK8 P49336 1/20 0.40
TP53 P04637 1/20 0.39
TTK P33981 2/20 0.38
MAP2K4 P45985 1/20 0.38
CHEK1 O14757 1/20 0.38
CSNK1D P48730 1/20 0.38
ABL1 P00519 3/20 0.38
DDR2 Q16832 3/20 0.38
FGFR1 P11362 2/20 0.38
LMNA P02545 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KLKB1 P03952 1/20 0.37

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
SCHEMBL2215293 0.91 MAPK14 (0.44) MAPK14CHEK1ABL1DDR2FGFR1
SCHEMBL2217263 0.90 MAPK14 (0.44) MAPK14MAP2K4CHEK1ABL1
SCHEMBL2216299 0.87 GSK3A (0.46) MAPTMAPK14FGFR1LMNAROCK2
SCHEMBL2215777 0.85 MAPK14 (0.41) MAPK14CHEK1ABL1ROCK2ROCK1
SCHEMBL2217849 0.85 MAPK1 (0.46) CDK8TTKMAP2K4DDR2FGFR1
SCHEMBL2215356 0.84 ACHE (0.49) MAPTMAPK14MAP2K4CHEK1LMNA
SCHEMBL2217915 0.82 KDM4E (0.47) MAPTMAPK14MAP2K4CHEK1DDR2
SCHEMBL2216103 0.81 TRPA1 (0.53) MAPK14CHEK1
SCHEMBL2217549 0.76 MAPK1 (0.48) MAPK14DDR2FGFR1
SCHEMBL5563411 0.75 KDM4E (0.47) MAPTMAPK14MAP2K4CHEK1ROCK2

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 MAPT 1468/4885MAPK14 14/4885CDK8 375/4885

“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.