SCHEMBL275206

SCHEMBL275206

Brc1cnc(NC2CCCCC2)c2nccn12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.54
ADORA3 P0DMS8 8/20 0.51
FLT3 P36888 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HCRTR2 O43614 1/20 0.38
KMT2A Q03164 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
SCHEMBL3469705 0.94 ADORA3 (0.57) MAPK8ADORA3FLT3KDM4EGAA
SCHEMBL5398296 0.87 ADORA3 (0.53) MAPK8ADORA3FLT3HCRTR2
SCHEMBL27359923 0.76 ADORA3 (0.51) MAPK8ADORA3FLT3KDM4E
SCHEMBL737845 0.74 MAPK8 (0.46) MAPK8ADORA3FLT3
SCHEMBL5404510 0.73 FLT3 (0.48) ADORA3FLT3
SCHEMBL8246210 0.72 AURKA (0.55) MAPK8ADORA3FLT3
SCHEMBL14529893 0.71 ADORA3 (0.48) MAPK8ADORA3FLT3
SCHEMBL279480 0.71 MAPKAPK5 (0.60) MAPK8ADORA3
SCHEMBL279441 0.71 MAPKAPK5 (0.60) MAPK8ADORA3
SCHEMBL8117091 0.70 MAPK8 (1.00) MAPK8ADORA3KMT2A

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 12 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-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-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-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-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 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
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases GALAPAGOS, N.V. (BE) 2009-05-21 US disclosed
WO-2008138843-A1 IMIDAZOPYRIDINES AND TRIAZOLOPYRIMIDINES USEFUL FOR THE TREATMENT OF JOINT DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-11-20 WO disclosed
WO-2008138843-A1 IMIDAZOPYRIDINES AND TRIAZOLOPYRIMIDINES USEFUL FOR THE TREATMENT OF JOINT DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-11-20 WO 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 MAPK8 4144/4885ADORA3 4727/4885FLT3 2549/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 MAPK8 3604/4885ADORA3 2326/4885FLT3 1384/4885

“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.