SCHEMBL10160905

SCHEMBL10160905

O=C1NCc2cc(-c3cnc(Nc4ncc(C(=O)N5CC6CC5CO6)o4)c4nccn34)ccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 8/20 0.51
GSK3B P49841 1/20 0.34
MKNK1 Q9BUB5 4/20 0.32
EIF4E P06730 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
LRRK2 Q5S007 2/20 0.32
PTK6 Q13882 1/20 0.32
TTK P33981 1/20 0.32
SYK P43405 1/20 0.31
F9 P00740 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL10160896 0.88 MAPKAPK5 (0.50) MAPKAPK5GSK3BMKNK1LRRK2TTK
SCHEMBL10160859 0.85 MAPKAPK5 (0.51) MAPKAPK5GSK3BMKNK1LRRK2SYK
SCHEMBL10160830 0.84 MAPKAPK5 (0.49) MAPKAPK5GSK3BMKNK1LRRK2TTK
SCHEMBL10160901 0.84 MAPKAPK5 (0.52) MAPKAPK5GSK3BSYK
SCHEMBL10160906 0.82 MAPKAPK5 (0.66) MAPKAPK5GSK3BPTK6
SCHEMBL10160944 0.81 MAPKAPK5 (0.51) MAPKAPK5MKNK1LRRK2TTK
SCHEMBL10160893 0.80 MAPKAPK5 (0.51) MAPKAPK5GSK3BMKNK1MKNK2LRRK2
SCHEMBL10160851 0.77 MAPKAPK5 (0.52) MAPKAPK5GSK3BSYK
SCHEMBL10160823 0.75 MAPKAPK5 (0.50) MAPKAPK5GSK3BMKNK1MKNK2LRRK2
SCHEMBL10160899 0.72 MAPKAPK5 (0.67) MAPKAPK5TTK

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
US-9006237-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2015-04-14 US disclosed
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases ANDREWS MARTIN JAMES INGLIS (BE) 2012-09-13 US disclosed
US-8148369-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-04-03 US disclosed
US-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, N.V. (BE) 2009-01-08 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 (2 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-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885GSK3B 4585/4885MKNK1 1100/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885GSK3B 4585/4885MKNK1 1100/4885

“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.