SCHEMBL10169141

SCHEMBL10169141

O=C1NCc2cc(-c3cnc(Nc4cnc(N5CCCCC5)nc4)c4nccn34)ccc21

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 11/20 0.70
FYN P06241 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
F9 P00740 1/20 0.37
TBK1 Q9UHD2 2/20 0.37
GSK3B P49841 1/20 0.37
TTK P33981 1/20 0.36
PRKCI P41743 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
SCHEMBL1674255 0.92 MAPKAPK5 (0.83) MAPKAPK5FYNPIK3CDPIK3CAPIK3CB
SCHEMBL1674353 0.90 MAPKAPK5 (0.64) MAPKAPK5FYNPIK3CDPIK3CAPIK3CB
SCHEMBL10169140 0.90 MAPKAPK5 (0.71) MAPKAPK5FYNTGFBR1ACVR1F9
SCHEMBL10169137 0.89 MAPKAPK5 (0.87) MAPKAPK5FYNTGFBR1ACVR1TBK1
SCHEMBL10133626 0.88 MAPKAPK5 (0.54) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1674349 0.86 MAPKAPK5 (0.70) MAPKAPK5FYNPIK3CDF9TBK1
SCHEMBL5574904 0.85 MAPKAPK5 (0.74) MAPKAPK5FYNF9GSK3BTTK
SCHEMBL12443293 0.85 MAPKAPK5 (0.72) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL4395729 0.83 MAPKAPK5 (0.68) MAPKAPK5FYNTGFBR1ACVR1F9
SCHEMBL1674405 0.82 MAPKAPK5 (1.00) MAPKAPK5FYNPIK3CDPIK3CAPIK3CB

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-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-09-08 US disclosed
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-04-21 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-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 MAPKAPK5 13/4885FYN 1514/4885PIK3CD 1697/4885
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 MAPKAPK5 13/4885FYN 1514/4885PIK3CD 1697/4885

“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.