SCHEMBL1799164

SCHEMBL1799164

FC(F)(F)c1csc(-c2c[nH]c3ncc(C4CCC(N5CCCOCC5)CC4)cc23)n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.62
MAPK9 P45984 2/20 0.62
MAPK10 P53779 2/20 0.62
IRAK4 Q9NWZ3 12/20 0.36
MAP3K12 Q12852 3/20 0.36
JAK1 P23458 2/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
IRAK2 O43187 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
IRAK1 P51617 1/20 0.33
HASPIN Q8TF76 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
IRAK3 Q9Y616 1/20 0.33

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
SCHEMBL1799166 1.00 MAPK8 (0.62) MAPK8MAPK9MAPK10IRAK4MAP3K12
SCHEMBL8167755 1.00 MAPK8 (0.62) MAPK8MAPK9MAPK10IRAK4MAP3K12
SCHEMBL1800822 0.97 MAPK8 (0.60) MAPK8MAPK9MAPK10IRAK4MAP3K12
SCHEMBL1800824 0.97 MAPK8 (0.60) MAPK8MAPK9MAPK10IRAK4MAP3K12
SCHEMBL8172728 0.97 MAPK8 (0.60) MAPK8MAPK9MAPK10IRAK4MAP3K12
SCHEMBL1796229 0.92 MAPK8 (0.50) MAPK8MAPK9MAPK10MAP3K12JAK1
SCHEMBL8168752 0.92 MAPK8 (0.50) MAPK8MAPK9MAPK10MAP3K12JAK1
SCHEMBL1796228 0.92 MAPK8 (0.50) MAPK8MAPK9MAPK10MAP3K12JAK1
SCHEMBL12616781 0.91 MAPK8 (0.49) MAPK8MAPK9MAPK10MAP3K12JAK1
SCHEMBL12616778 0.91 MAPK8 (0.49) MAPK8MAPK9MAPK10MAP3K12JAK1

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-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES 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-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 MAPK8 33/4885MAPK9 27/4885MAPK10 28/4885

“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.