SCHEMBL2217586

SCHEMBL2217586

Cc1ccc(C(=O)NC2CC2)cc1C1=Cc2cnn(-c3ccccc3F)c2CN1O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.59
LCK P06239 3/20 0.59
KIT P10721 3/20 0.59
KDR P35968 3/20 0.59
MAPKAPK2 P49137 2/20 0.49
MAPK13 O15264 1/20 0.49
RAF1 P04049 1/20 0.49
PDGFRA P16234 1/20 0.49
MAPK12 P53778 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPK11 Q15759 1/20 0.49
CYP3A4 P08684 1/20 0.46
HPGDS O60760 1/20 0.45
DHODH Q02127 2/20 0.45
RIPK2 O43353 2/20 0.44

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 0.88 MAPK14 (0.54) MAPK14LCKKITKDRMAPKAPK2
SCHEMBL2216634 0.78 MAPK14 (0.49) MAPK14MAPK13MAPK11CYP3A4
SCHEMBL2216168 0.75 MAPK14 (0.66) MAPK14LCKKITKDRMAPKAPK2
SCHEMBL2217584 0.73 MAPK14 (0.64) MAPK14LCKKITKDRMAPKAPK2
SCHEMBL16576339 0.70 MAPK14 (0.63) MAPK14LCKKITKDRMAPK13
SCHEMBL1417097 0.69 MAPK14 (0.59) MAPK14LCKKITKDRMAPKAPK2
SCHEMBL12000896 0.68 MAPK14 (0.80) MAPK14LCKKIT
SCHEMBL3638251 0.66 MAPK14 (1.00) MAPK14LCKKITKDRMAPKAPK2
SCHEMBL3669180 0.66 MAPK14 (1.00) MAPK14LCKKITKDRMAPKAPK2
SCHEMBL1886401 0.66 MAPK14 (0.83) MAPK14LCKKITKDRMAPKAPK2

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 14/4885LCK 94/4885KIT 1380/4885

“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.