SCHEMBL279913

SCHEMBL279913

O=C1NCc2cc(-c3cnc(NCC4CCCCCC4)c4nccn34)ccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.57
TTK P33981 11/20 0.49
ADORA3 P0DMS8 2/20 0.41
GSK3B P49841 1/20 0.39
CDC7 O00311 1/20 0.37
PRKCI P41743 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
SCHEMBL279828 1.00 MAPKAPK5 (0.57) MAPKAPK5TTKADORA3GSK3BCDC7
SCHEMBL279678 0.99 MAPKAPK5 (0.58) MAPKAPK5TTKADORA3GSK3BPRKCI
SCHEMBL279796 0.97 MAPKAPK5 (0.58) MAPKAPK5TTKADORA3GSK3BPRKCI
SCHEMBL279907 0.95 MAPKAPK5 (0.59) MAPKAPK5TTKADORA3GSK3BPRKCI
SCHEMBL279676 0.86 MAPKAPK5 (0.59) MAPKAPK5TTKADORA3GSK3BPRKCI
SCHEMBL275077 0.86 MAPKAPK5 (0.59) MAPKAPK5TTKADORA3GSK3BPRKCI
SCHEMBL279474 0.85 MAPKAPK5 (0.60) MAPKAPK5TTKADORA3GSK3BPRKCI
SCHEMBL274888 0.85 MAPKAPK5 (0.58) MAPKAPK5TTKGSK3BCDC7PRKCI
SCHEMBL275912 0.83 MAPKAPK5 (0.60) MAPKAPK5TTKADORA3GSK3BPRKCI
SCHEMBL279439 0.83 MAPKAPK5 (0.62) MAPKAPK5TTKGSK3BPRKCI

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.