SCHEMBL10160829

SCHEMBL10160829

O=C1NCc2cc(-c3cnc(Nc4nc(C(=O)N5CCOCC5)cs4)c4nccn34)ccc21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 14/20 0.64
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
FYN P06241 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
GSK3B P49841 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
PTK6 Q13882 1/20 0.36

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
SCHEMBL2060359 0.87 MAPKAPK5 (0.65) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL10160894 0.86 MAPKAPK5 (0.65) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL2060333 0.84 MAPKAPK5 (0.65) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL10160906 0.83 MAPKAPK5 (0.66) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL10160830 0.83 MAPKAPK5 (0.49) MAPKAPK5PIK3CDGSK3B
SCHEMBL10160876 0.79 MAPKAPK5 (0.63) MAPKAPK5FYN
SCHEMBL2060490 0.79 MAPKAPK5 (0.67) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL2060525 0.79 MAPKAPK5 (0.61) MAPKAPK5PIK3CDGSK3BTBK1
SCHEMBL2060514 0.78 MAPKAPK5 (0.63) MAPKAPK5PIK3CDFYNGSK3BTBK1
SCHEMBL2060382 0.78 MAPKAPK5 (0.56) MAPKAPK5PIK3CDGSK3BPTK6

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 307/4885PIK3CD 3995/4885PIK3CA 3252/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885PIK3CD 3995/4885PIK3CA 3252/4885

“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.