SCHEMBL280096

SCHEMBL280096

NC(=O)c1cc(-c2cnc(NC3CCN(Cc4ccccc4)CC3)c3nccn23)co1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 3/20 0.56
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
TTK P33981 2/20 0.43
SIGMAR1 Q99720 5/20 0.42
FLT3 P36888 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
KMT2A Q03164 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL279816 0.95 MAPKAPK5 (0.55) MAPKAPK5JAK2JAK1TYK2JAK3
SCHEMBL275414 0.95 MAPKAPK5 (0.55) MAPKAPK5JAK2JAK1TYK2JAK3
SCHEMBL279482 0.87 MAPKAPK5 (0.62) MAPKAPK5TTKFLT3
SCHEMBL274996 0.85 JAK2 (0.44) MAPKAPK5JAK2JAK1TYK2JAK3
SCHEMBL274878 0.85 MAPKAPK5 (0.61) MAPKAPK5TTK
SCHEMBL279480 0.84 MAPKAPK5 (0.60) MAPKAPK5TTK
SCHEMBL274317 0.81 RIPK1 (0.43) MAPKAPK5JAK2JAK1TYK2JAK3
SCHEMBL279710 0.81 RIPK1 (0.43) MAPKAPK5JAK2JAK1TYK2JAK3
SCHEMBL279683 0.77 MAPKAPK5 (0.60) MAPKAPK5TTK
SCHEMBL13857417 0.76 MAPKAPK5 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 1247/4885JAK2 1348/4885JAK1 1235/4885

“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.