SCHEMBL2216064

SCHEMBL2216064

Cc1cccc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ncc32)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.56
MAPK14 Q16539 13/20 0.55
CYP2C9 P11712 7/20 0.51
MAPK11 Q15759 4/20 0.51
MAPKAPK2 P49137 2/20 0.51
BUB1 O43683 1/20 0.51
PRKACG P22612 1/20 0.51
ACSL5 Q9ULC5 1/20 0.51
STK24 Q9Y6E0 1/20 0.51
HPGDS O60760 1/20 0.51
MAPK13 O15264 5/20 0.45
RAF1 P04049 1/20 0.45
PDGFRA P16234 1/20 0.45
MAPK12 P53778 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL4219269 0.87 KHK (0.56) KHKMAPK14CYP2C9HPGDSMAPK13
SCHEMBL2216631 0.83 MAPK14 (0.54) KHKMAPK14MAPK11MAPKAPK2HPGDS
SCHEMBL4219336 0.80 HPGDS (0.55) KHKMAPK14CYP2C9HPGDSMAPK13
SCHEMBL2214382 0.80 MAPK14 (0.51) MAPK14CYP2C9MAPK11MAPKAPK2BUB1
SCHEMBL2213369 0.80 MAPK14 (0.50) MAPK14CYP2C9MAPK11MAPKAPK2BUB1
SCHEMBL2216662 0.79 KHK (0.57) KHKMAPK14CYP2C9MAPK11MAPKAPK2
SCHEMBL2215164 0.78 MAPK14 (0.54) MAPK14CYP2C9MAPK11MAPKAPK2BUB1
SCHEMBL2216902 0.77 MAPK14 (0.49) MAPK14CYP2C9MAPK11MAPKAPK2BUB1
SCHEMBL2213343 0.77 MAPK14 (0.47) MAPK14CYP2C9MAPK11MAPKAPK2BUB1
SCHEMBL2215405 0.77 MAPK14 (0.53) MAPK14CYP2C9MAPK11MAPKAPK2BUB1

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
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP claimed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 US claimed
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 KHK 2805/4885MAPK14 14/4885CYP2C9 2372/4885

“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.