SCHEMBL2217549

SCHEMBL2217549

CCNC(=O)c1ccc(C)c(-c2cc3[nH]nc(-c4ccc(C)c(F)c4)c3cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.48
LRRK2 Q5S007 1/20 0.43
MAPK14 Q16539 1/20 0.42
DDR2 Q16832 3/20 0.41
FGFR1 P11362 2/20 0.41
NAMPT P43490 1/20 0.39

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
SCHEMBL2215978 0.93 MAPK1 (0.45) MAPK1MAPK14DDR2FGFR1
SCHEMBL2217849 0.91 MAPK1 (0.46) MAPK1DDR2FGFR1
SCHEMBL2214118 0.88 MAPK1 (0.46) MAPK1MAPK14
SCHEMBL2217969 0.85 TRPA1 (0.56) MAPK1LRRK2MAPK14
SCHEMBL2215293 0.85 MAPK14 (0.44) LRRK2MAPK14DDR2FGFR1NAMPT
SCHEMBL2217291 0.84 LRRK2 (0.44) MAPK1LRRK2MAPK14FGFR1NAMPT
SCHEMBL2217307 0.81 MAPK1 (0.57) MAPK1MAPK14
SCHEMBL2216159 0.80 PARP1 (0.44) MAPK1MAPK14
SCHEMBL2216481 0.80 PARP1 (0.43) MAPK1MAPK14
SCHEMBL4212929 0.79 DDR2 (0.49) MAPK14DDR2FGFR1

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 4 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
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 MAPK1 1/4885LRRK2 1606/4885MAPK14 14/4885

“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.