SCHEMBL2216634

SCHEMBL2216634

Cc1cccc(-n2ncc3c2CN(O)C(c2cc(C(=O)NC4CC4)cc(F)c2C)=C3)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.49
KHK P50053 2/20 0.46
MAPK13 O15264 10/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 3/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL2214290 0.80 MAPK14 (0.54) MAPK14KHKMAPK13MAPK11
SCHEMBL2217586 0.78 MAPK14 (0.59) MAPK14MAPK13CYP3A4MAPK11
SCHEMBL4219269 0.76 KHK (0.56) MAPK14KHKMAPK13CYP2C9
SCHEMBL2216064 0.76 KHK (0.56) MAPK14KHKMAPK13CYP2C9MAPK11
SCHEMBL2216631 0.73 MAPK14 (0.54) MAPK14KHKMAPK13CYP3A4MAPK11
SCHEMBL4219336 0.69 HPGDS (0.55) MAPK14KHKMAPK13CYP2C9
SCHEMBL3429767 0.66 MAPK14 (0.67) MAPK14CYP2C9MAPK11
SCHEMBL4222804 0.66 HPGDS (0.51) MAPK14KHKMAPK13CYP2C9
SCHEMBL4220428 0.66 HPGDS (0.51) MAPK14KHKMAPK13CYP2C9
SCHEMBL4225219 0.66 HPGDS (0.53) MAPK14MAPK13CYP2C9

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 2 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

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 2805/4885MAPK13 36/4885

“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.