SCHEMBL10165985

SCHEMBL10165985

O=C1NCc2cc(-c3ccc(Nc4ccc([S+]([O-])NC5CCNC5)cc4)c4nccn34)ccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.46
GSK3B P49841 1/20 0.34
MKNK1 Q9BUB5 4/20 0.33
EIF4E P06730 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
PRKCI P41743 1/20 0.32
F9 P00740 1/20 0.31
TGFBR1 P36897 1/20 0.30
ACVR1 Q04771 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL14162831 0.86 MAPKAPK5 (0.43) MAPKAPK5
SCHEMBL1685157 0.85 MAPKAPK5 (0.46) MAPKAPK5GSK3BMKNK1EIF4EMKNK2
SCHEMBL1792559 0.85 MAPKAPK5 (0.47) MAPKAPK5GSK3BMKNK1EIF4EMKNK2
SCHEMBL13937607 0.83 MAPKAPK5 (0.46) MAPKAPK5GSK3BMKNK1EIF4EMKNK2
SCHEMBL14162737 0.81 MAPKAPK5 (0.41) MAPKAPK5
SCHEMBL10166873 0.78 MAPKAPK5 (0.53) MAPKAPK5GSK3BMKNK1TBK1PRKCI
SCHEMBL10134756 0.78 MAPKAPK5 (0.53) MAPKAPK5GSK3BMKNK1EIF4EMKNK2
SCHEMBL1685321 0.78 MAPKAPK5 (0.53) MAPKAPK5GSK3BMKNK1MKNK2TBK1
SCHEMBL1685188 0.77 MAPKAPK5 (0.53) MAPKAPK5GSK3BMKNK1EIF4EMKNK2
SCHEMBL1685196 0.77 MAPKAPK5 (0.51) MAPKAPK5GSK3BMKNK1MKNK2TBK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N. V. (BE) 2012-01-12 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-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES COL2A1, MMP1, COL1A1 MAPKAPK5 19/4885GSK3B 2501/4885MKNK1 113/4885

“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.