SCHEMBL2276141

SCHEMBL2276141

Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4CCC(N5CCOCC5)CC4)nc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.43
IRAK1 P51617 1/20 0.43
GSK3B P49841 5/20 0.40
DYRK1A Q13627 5/20 0.40
WNT1 P04628 4/20 0.40
HSD11B1 P28845 1/20 0.39
ACVR1 Q04771 4/20 0.38
BRD4 O60885 1/20 0.38
PIK3CD O00329 2/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
PDPK1 O15530 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
SCHEMBL7933891 1.00 MAPK8 (0.44) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL2276143 1.00 MAPK8 (0.44) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL2277123 0.85 TYRO3 (0.39) MAPK8GSK3BDYRK1AWNT1BRD4
SCHEMBL2753208 0.84 MAPK8 (0.58) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL2753209 0.84 MAPK8 (0.58) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL4401825 0.84 MAPK8 (0.58) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL2281187 0.83 IRAK4 (0.37) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL4401919 0.81 MAPK8 (0.60) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL2753233 0.81 MAPK8 (0.60) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL2753230 0.81 MAPK8 (0.60) MAPK8MAPK9MAPK10IRAK4IRAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE DAPK1, DAPK2, DAPK3 MAPK8 53/4885MAPK9 27/4885MAPK10 77/4885

“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.