SCHEMBL737845

SCHEMBL737845

c1cn2c(-c3ccc4c(c3)CNC4)cnc(NC3CCCCC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.46
FLT3 P36888 2/20 0.46
MAPKAPK5 Q8IW41 3/20 0.42
ADORA3 P0DMS8 4/20 0.41
TTK P33981 10/20 0.40

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
SCHEMBL279676 0.85 MAPKAPK5 (0.59) MAPK8FLT3MAPKAPK5ADORA3TTK
SCHEMBL275077 0.85 MAPKAPK5 (0.59) MAPK8FLT3MAPKAPK5ADORA3TTK
SCHEMBL279474 0.84 MAPKAPK5 (0.60) MAPK8FLT3MAPKAPK5ADORA3TTK
SCHEMBL275912 0.82 MAPKAPK5 (0.60) MAPK8FLT3MAPKAPK5ADORA3TTK
SCHEMBL27359923 0.81 ADORA3 (0.51) MAPK8FLT3ADORA3TTK
SCHEMBL279439 0.79 MAPKAPK5 (0.62) FLT3MAPKAPK5TTK
SCHEMBL275076 0.79 FLT3 (0.42) MAPK8FLT3MAPKAPK5ADORA3TTK
SCHEMBL275911 0.76 FLT3 (0.43) MAPK8FLT3MAPKAPK5ADORA3TTK
SCHEMBL27359187 0.75 FLT3 (0.48) MAPK8FLT3ADORA3TTK
SCHEMBL275206 0.74 MAPK8 (0.54) MAPK8FLT3ADORA3

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-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-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 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-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 MAPK8 3604/4885FLT3 1384/4885MAPKAPK5 1958/4885

“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.