SCHEMBL279679

SCHEMBL279679

CNc1ncc(-c2ccc3c(c2)CNC3=O)n2ccnc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.65
PRKCI P41743 1/20 0.42
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
FLT3 P36888 2/20 0.41
GSK3B P49841 2/20 0.41
DAPK3 O43293 1/20 0.41
NTRK1 P04629 1/20 0.41
PIM1 P11309 1/20 0.41
ROCK1 Q13464 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TBK1 Q9UHD2 1/20 0.40
BRAF P15056 1/20 0.40
MKNK2 Q9HBH9 3/20 0.40
MKNK1 Q9BUB5 2/20 0.40
PIK3CD O00329 1/20 0.39
GRIA1 P42261 1/20 0.39
F9 P00740 1/20 0.38
PRF1 P14222 1/20 0.38
TTK P33981 1/20 0.38

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
SCHEMBL279439 0.86 MAPKAPK5 (0.62) MAPKAPK5PRKCIFLT3GSK3BTTK
SCHEMBL5574904 0.85 MAPKAPK5 (0.74) MAPKAPK5PRKCIGSK3BMKNK1F9
SCHEMBL1674349 0.85 MAPKAPK5 (0.70) MAPKAPK5PRKCITBK1MKNK2MKNK1
SCHEMBL279474 0.85 MAPKAPK5 (0.60) MAPKAPK5PRKCIFLT3GSK3BTBK1
SCHEMBL275912 0.85 MAPKAPK5 (0.60) MAPKAPK5PRKCIFLT3GSK3BTBK1
SCHEMBL279676 0.84 MAPKAPK5 (0.59) MAPKAPK5PRKCIFLT3GSK3BTTK
SCHEMBL275077 0.84 MAPKAPK5 (0.59) MAPKAPK5PRKCIFLT3GSK3BTTK
SCHEMBL279907 0.84 MAPKAPK5 (0.59) MAPKAPK5PRKCIGSK3BTBK1TTK
SCHEMBL13167028 0.83 MAPKAPK5 (0.47) MAPKAPK5FLT3GRIA1TTK
SCHEMBL2060183 0.83 MAPKAPK5 (0.61) MAPKAPK5PRKCITGFBR1ACVR1FLT3

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 1247/4885PRKCI 1646/4885TGFBR1 1211/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 MAPKAPK5 1958/4885PRKCI 3790/4885TGFBR1 1088/4885

“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.