SCHEMBL2216299

SCHEMBL2216299

CCNC(=O)c1ccc(C)c(-c2ccc3c(-c4cccc(OC)c4)n[nH]c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
FGFR4 P22455 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
NAMPT P43490 1/20 0.42
MAPK14 Q16539 1/20 0.42
BRD4 O60885 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
MAPT P10636 3/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
PLK1 P53350 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL2216227 0.87 MAPT (0.42) MAPK14MAPTROCK2ROCK1LMNA
SCHEMBL2217291 0.86 LRRK2 (0.44) NAMPTMAPK14BRD4NR1H2NR1H3
SCHEMBL2215293 0.83 MAPK14 (0.44) HDAC1NAMPTMAPK14HDAC6FGFR1
SCHEMBL2217915 0.83 KDM4E (0.47) HDAC1HDAC2HDAC8MAPK14MAPT
SCHEMBL2217263 0.82 MAPK14 (0.44) NAMPTMAPK14
SCHEMBL2215356 0.82 ACHE (0.49) NAMPTMAPK14MAPTMEN1LMNA
SCHEMBL2215777 0.80 MAPK14 (0.41) NAMPTMAPK14ROCK2ROCK1HDAC6
SCHEMBL2216103 0.80 TRPA1 (0.53) MAPK14
SCHEMBL2214102 0.77 HSP90AA1 (0.43) GSK3BHDAC1HDAC2HDAC8FGFR4
SCHEMBL5563411 0.75 KDM4E (0.47) HDAC1HDAC2HDAC8MAPK14MAPT

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 5 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
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 GSK3A 604/4885GSK3B 488/4885HDAC1 413/4885

“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.