SCHEMBL279446

SCHEMBL279446

NC(=O)c1cc(-c2cnc(NCC3CCCCCC3)c3nccn23)co1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 5/20 0.57
TTK P33981 11/20 0.49
ADORA3 P0DMS8 3/20 0.43
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 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
SCHEMBL279445 1.00 MAPKAPK5 (0.57) MAPKAPK5TTKADORA3KCNH2ATM
SCHEMBL279682 0.99 MAPKAPK5 (0.58) MAPKAPK5TTKADORA3
SCHEMBL13857417 0.97 MAPKAPK5 (0.58) MAPKAPK5TTKADORA3
SCHEMBL279683 0.95 MAPKAPK5 (0.60) MAPKAPK5TTKADORA3
SCHEMBL279441 0.86 MAPKAPK5 (0.60) MAPKAPK5TTKADORA3
SCHEMBL279480 0.86 MAPKAPK5 (0.60) MAPKAPK5TTKADORA3
SCHEMBL274878 0.85 MAPKAPK5 (0.61) MAPKAPK5TTKADORA3
SCHEMBL274912 0.83 MAPKAPK5 (0.61) MAPKAPK5TTKADORA3
SCHEMBL279482 0.82 MAPKAPK5 (0.62) MAPKAPK5TTK
SCHEMBL279923 0.80 MAPKAPK5 (0.64) MAPKAPK5TTK

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 1247/4885TTK 4697/4885ADORA3 4727/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 MAPKAPK5 1958/4885TTK 4724/4885ADORA3 2326/4885

“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.