SCHEMBL4457708

SCHEMBL4457708

Cc1nn(C)cc1-c1cn(S)c2ncc([C@H]3CC[C@H](N4CCOCC4)CC3)cc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.51
MAPK9 P45984 2/20 0.51
MAPK10 P53779 2/20 0.51
PIK3CD O00329 5/20 0.40
IRAK4 Q9NWZ3 10/20 0.39
PIK3R1 P27986 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3R2 O00459 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
LRRK2 Q5S007 1/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL4454394 1.00 MAPK8 (0.51) MAPK8MAPK9MAPK10PIK3CDIRAK4
SCHEMBL4454373 0.85 MAPK8 (0.51) MAPK8MAPK9MAPK10PIK3CDIRAK4
SCHEMBL4458870 0.85 MAPK8 (0.51) MAPK8MAPK9MAPK10PIK3CDIRAK4
SCHEMBL4457897 0.85 MAPK8 (0.67) MAPK8MAPK9MAPK10PIK3CDIRAK4
SCHEMBL4454296 0.85 MAPK8 (0.67) MAPK8MAPK9MAPK10PIK3CDIRAK4
SCHEMBL10227417 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10PIK3CDIRAK4
SCHEMBL4453249 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10PIK3CDIRAK4
SCHEMBL4460218 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10PIK3CDIRAK4
SCHEMBL2751908 0.81 MAPK8 (0.44) MAPK8MAPK9MAPK10PIK3CDIRAK4
SCHEMBL2751905 0.81 MAPK8 (0.44) MAPK8MAPK9MAPK10PIK3CDIRAK4

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-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 MAPK8 26/4885MAPK9 20/4885MAPK10 11/4885

“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.