SCHEMBL10160899

SCHEMBL10160899

O=C1NCc2cc(-c3cnc(Nc4ncc(CN5CCOCC5)o4)c4nccn34)ccc21

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 14/20 0.67
FYN P06241 1/20 0.40
TBK1 Q9UHD2 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
TTK P33981 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
SCHEMBL10160891 0.86 MAPKAPK5 (0.65) MAPKAPK5FYNTBK1PIK3CDPIK3CA
SCHEMBL2060490 0.84 MAPKAPK5 (0.67) MAPKAPK5FYNTBK1PIK3CDPIK3CA
SCHEMBL10160906 0.84 MAPKAPK5 (0.66) MAPKAPK5FYNTBK1PIK3CDPIK3CA
SCHEMBL2060333 0.82 MAPKAPK5 (0.65) MAPKAPK5FYNTBK1PIK3CDPIK3CA
SCHEMBL10160901 0.82 MAPKAPK5 (0.52) MAPKAPK5PIK3CD
SCHEMBL1674255 0.81 MAPKAPK5 (0.83) MAPKAPK5FYNTBK1PIK3CDPIK3CA
SCHEMBL1674405 0.80 MAPKAPK5 (1.00) MAPKAPK5FYNTBK1PIK3CDPIK3CA
SCHEMBL10195915 0.80 MAPKAPK5 (0.65) MAPKAPK5FYNTBK1PIK3CDPIK3CA
SCHEMBL1674043 0.78 MAPKAPK5 (0.83) MAPKAPK5FYNTBK1PIK3CDPIK3CA
SCHEMBL2071184 0.78 MAPKAPK5 (0.83) MAPKAPK5FYNTBK1

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 1037/4885TBK1 1795/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885FYN 1037/4885TBK1 1795/4885

“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.