SCHEMBL279441

SCHEMBL279441

NC(=O)c1cc(-c2cnc(NC3CCCCCC3)c3nccn23)co1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 6/20 0.60
ADORA3 P0DMS8 3/20 0.41
MAPK8 P45983 3/20 0.41
ALDH1A1 P00352 1/20 0.40
TTK P33981 7/20 0.39

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
SCHEMBL279480 1.00 MAPKAPK5 (0.60) MAPKAPK5ADORA3MAPK8ALDH1A1TTK
SCHEMBL274878 0.99 MAPKAPK5 (0.61) MAPKAPK5ADORA3MAPK8ALDH1A1TTK
SCHEMBL274912 0.97 MAPKAPK5 (0.61) MAPKAPK5ADORA3MAPK8TTK
SCHEMBL279482 0.95 MAPKAPK5 (0.62) MAPKAPK5MAPK8TTK
SCHEMBL279446 0.86 MAPKAPK5 (0.57) MAPKAPK5ADORA3TTK
SCHEMBL279445 0.86 MAPKAPK5 (0.57) MAPKAPK5ADORA3TTK
SCHEMBL279682 0.85 MAPKAPK5 (0.58) MAPKAPK5ADORA3TTK
SCHEMBL280096 0.84 MAPKAPK5 (0.56) MAPKAPK5TTK
SCHEMBL13857417 0.83 MAPKAPK5 (0.58) MAPKAPK5ADORA3TTK
SCHEMBL279683 0.82 MAPKAPK5 (0.60) MAPKAPK5ADORA3TTK

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 1247/4885ADORA3 4727/4885MAPK8 4144/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 MAPKAPK5 1958/4885ADORA3 2326/4885MAPK8 3604/4885

“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.