SCHEMBL10160883

SCHEMBL10160883

NC(=O)c1cc(-c2cnc(Nc3ncc(CN4CCOCC4)s3)c3nccn23)co1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 12/20 0.65
FYN P06241 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CHEK1 O14757 1/20 0.36
KDR P35968 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10160871 0.86 MAPKAPK5 (0.62) MAPKAPK5FYNAURKAAURKBSMN1; SMN2
SCHEMBL10160892 0.85 MAPKAPK5 (0.65) MAPKAPK5FYNCHEK1AURKAAURKB
SCHEMBL10160941 0.84 MAPKAPK5 (0.65) MAPKAPK5FYNAURKAAURKB
SCHEMBL10160918 0.84 MAPKAPK5 (0.65) MAPKAPK5FYNAURKAAURKB
SCHEMBL10160887 0.81 MAPKAPK5 (0.49) MAPKAPK5
SCHEMBL14387664 0.80 MAPKAPK5 (0.81) MAPKAPK5FYNAURKAAURKB
SCHEMBL2060397 0.79 MAPKAPK5 (0.61) MAPKAPK5CHEK1KDRAURKAAURKB
SCHEMBL10160876 0.79 MAPKAPK5 (0.63) MAPKAPK5FYNSMN1; SMN2
SCHEMBL2068760 0.79 MAPKAPK5 (1.00) MAPKAPK5FYNAURKAAURKB
SCHEMBL10160949 0.77 MAPKAPK5 (0.58) MAPKAPK5KDRSMN1; SMN2

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 307/4885FYN 1037/4885PSEN1 184/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885FYN 1037/4885PSEN1 184/4885

“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.