SCHEMBL10169555

SCHEMBL10169555

COc1cc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)ccc1C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.50
ROCK1 Q13464 11/20 0.50
PTK6 Q13882 3/20 0.50
AURKB Q96GD4 1/20 0.49
MAPKAPK5 Q8IW41 1/20 0.47
SYK P43405 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1674359 0.90 PTK6 (0.51) ROCK2ROCK1PTK6AURKBMAPKAPK5
SCHEMBL1477791 0.86 ROCK2 (0.50) ROCK2ROCK1PTK6AURKBMAPKAPK5
SCHEMBL4401223 0.85 MCHR1 (0.50) PTK6AURKBMAPKAPK5
SCHEMBL10169559 0.84 MAPKAPK5 (0.54) MAPKAPK5SYKMAPTMEN1KMT2A
SCHEMBL1674334 0.79 MAPKAPK5 (0.53) ROCK2ROCK1PTK6AURKBMAPKAPK5
SCHEMBL1674331 0.78 MAPKAPK5 (0.54) ROCK2ROCK1PTK6AURKBMAPKAPK5
SCHEMBL5575899 0.78 MAPKAPK5 (0.51) ROCK2ROCK1PTK6AURKBMAPKAPK5
SCHEMBL4388113 0.77 MAPKAPK5 (0.51) ROCK2ROCK1PTK6AURKBMAPKAPK5
SCHEMBL14530726 0.77 PTK6 (0.56) PTK6AURKBMAPKAPK5SYK
SCHEMBL1476816 0.77 MAPKAPK5 (0.46) ROCK2ROCK1PTK6AURKBMAPKAPK5

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-09-08 US disclosed
US-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-09-08 US disclosed
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-7893058-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 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 (3 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-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 ROCK2 2109/4885ROCK1 2333/4885PTK6 2026/4885
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 ROCK2 2109/4885ROCK1 2333/4885PTK6 2026/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 ROCK2 2109/4885ROCK1 2333/4885PTK6 2026/4885

“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.