SCHEMBL279474

SCHEMBL279474

O=C1NCc2cc(-c3cnc(NC4CCCC4)c4nccn34)ccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.60
GSK3B P49841 1/20 0.41
FLT3 P36888 3/20 0.41
MAPK8 P45983 1/20 0.41
TTK P33981 5/20 0.39
PRKCI P41743 1/20 0.39
KIT P10721 1/20 0.39
MAP3K7 O43318 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TAB1 Q15750 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
LRRK2 Q5S007 1/20 0.38
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL275077 0.99 MAPKAPK5 (0.59) MAPKAPK5GSK3BFLT3MAPK8TTK
SCHEMBL279676 0.99 MAPKAPK5 (0.59) MAPKAPK5GSK3BFLT3MAPK8TTK
SCHEMBL275912 0.98 MAPKAPK5 (0.60) MAPKAPK5GSK3BFLT3MAPK8TTK
SCHEMBL279439 0.96 MAPKAPK5 (0.62) MAPKAPK5GSK3BFLT3TTKPRKCI
SCHEMBL279678 0.86 MAPKAPK5 (0.58) MAPKAPK5GSK3BTTKPRKCIADORA3
SCHEMBL279828 0.85 MAPKAPK5 (0.57) MAPKAPK5GSK3BTTKPRKCIADORA3
SCHEMBL279913 0.85 MAPKAPK5 (0.57) MAPKAPK5GSK3BTTKPRKCIADORA3
SCHEMBL279679 0.85 MAPKAPK5 (0.65) MAPKAPK5GSK3BFLT3TTKPRKCI
SCHEMBL279796 0.84 MAPKAPK5 (0.58) MAPKAPK5GSK3BTTKPRKCIADORA3
SCHEMBL737845 0.84 MAPK8 (0.46) MAPKAPK5FLT3MAPK8TTKADORA3

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-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 US disclosed
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases GALAPAGOS, N.V. (BE) 2009-05-21 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-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases NOD1, TNF, NOD2 MAPKAPK5 1247/4885GSK3B 4694/4885FLT3 2549/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 MAPKAPK5 1958/4885GSK3B 4806/4885FLT3 1384/4885

“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.