SCHEMBL10160876

SCHEMBL10160876

NC(=O)c1cc(-c2cnc(Nc3nc(C(=O)N4CCOCC4)cs3)c3nccn23)co1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 12/20 0.63
FYN P06241 1/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
TRPC3 Q13507 2/20 0.34
TRPC6 Q9Y210 2/20 0.34
ALK Q9UM73 1/20 0.34
HTR2C P28335 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
SCHEMBL10160923 0.86 MAPKAPK5 (0.66) MAPKAPK5FYNALK
SCHEMBL10160892 0.85 MAPKAPK5 (0.65) MAPKAPK5FYN
SCHEMBL10160871 0.85 MAPKAPK5 (0.62) MAPKAPK5FYNSMN1; SMN2
SCHEMBL10160945 0.82 MAPKAPK5 (0.67) MAPKAPK5FYNALK
SCHEMBL10160878 0.81 MAPKAPK5 (0.48) MAPKAPK5TRPC3TRPC6HTR2C
SCHEMBL10160829 0.79 MAPKAPK5 (0.64) MAPKAPK5FYN
SCHEMBL10160883 0.79 MAPKAPK5 (0.65) MAPKAPK5FYNSMN1; SMN2
SCHEMBL2068760 0.77 MAPKAPK5 (1.00) MAPKAPK5FYN
SCHEMBL14387664 0.77 MAPKAPK5 (0.81) MAPKAPK5FYN
SCHEMBL10160918 0.76 MAPKAPK5 (0.65) MAPKAPK5FYN

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 1037/4885GAA 3891/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885FYN 1037/4885GAA 3891/4885

“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.