SCHEMBL2216631

SCHEMBL2216631

Cc1cccc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)[n+]([O-])cc32)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.54
KHK P50053 2/20 0.53
HPGDS O60760 1/20 0.48
MAPK13 O15264 13/20 0.45
RAF1 P04049 1/20 0.45
PDGFRA P16234 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
MAPK12 P53778 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK11 Q15759 1/20 0.45
CYP3A4 P08684 1/20 0.43

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 0.84 KHK (0.56) MAPK14KHKHPGDSMAPK13
SCHEMBL2216064 0.83 KHK (0.56) MAPK14KHKHPGDSMAPK13RAF1
SCHEMBL2214287 0.81 KHK (0.54) MAPK14KHKHPGDSMAPK13RAF1
SCHEMBL2217584 0.78 MAPK14 (0.64) MAPK14MAPK13RAF1PDGFRAMAPKAPK2
SCHEMBL4219336 0.77 HPGDS (0.55) MAPK14KHKHPGDSMAPK13
SCHEMBL4222804 0.74 HPGDS (0.51) MAPK14KHKHPGDSMAPK13
SCHEMBL4220428 0.74 HPGDS (0.51) MAPK14KHKHPGDSMAPK13
SCHEMBL4217133 0.74 MAPK13 (0.50) MAPK14HPGDSMAPK13
SCHEMBL4225219 0.74 HPGDS (0.53) MAPK14HPGDSMAPK13
SCHEMBL2216634 0.73 MAPK14 (0.49) MAPK14KHKMAPK13MAPK11CYP3A4

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 3 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
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 MAPK14 14/4885KHK 2805/4885HPGDS 118/4885

“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.