SCHEMBL2280095

SCHEMBL2280095

Cn1cc(-c2nn(S(=O)(=O)c3ccccc3)c3ncc(C4CCC(N5CCCOCC5)CC4)cc23)cn1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.55
MAPK9 P45984 2/20 0.55
MAPK10 P53779 2/20 0.55
IRAK4 Q9NWZ3 3/20 0.38
GSK3B P49841 4/20 0.38
DYRK1A Q13627 4/20 0.38
WNT1 P04628 3/20 0.38
ACVR1 Q04771 5/20 0.38
IRAK1 P51617 1/20 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
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYRO3 Q06418 4/20 0.34
AXL P30530 2/20 0.34
MERTK Q12866 2/20 0.34

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
SCHEMBL2280097 1.00 MAPK8 (0.55) MAPK8MAPK9MAPK10IRAK4GSK3B
SCHEMBL7945004 1.00 MAPK8 (0.55) MAPK8MAPK9MAPK10IRAK4GSK3B
SCHEMBL2753230 0.85 MAPK8 (0.60) MAPK8MAPK9MAPK10IRAK4GSK3B
SCHEMBL4401919 0.85 MAPK8 (0.60) MAPK8MAPK9MAPK10IRAK4GSK3B
SCHEMBL2753233 0.85 MAPK8 (0.60) MAPK8MAPK9MAPK10IRAK4GSK3B
SCHEMBL2278431 0.84 WNT1 (0.38) MAPK8GSK3BDYRK1AWNT1TYRO3
SCHEMBL2282633 0.84 MAPK8 (0.37) MAPK8MAPK9MAPK10IRAK4GSK3B
SCHEMBL2752875 0.84 MAPK8 (0.57) MAPK8MAPK9MAPK10IRAK4GSK3B
SCHEMBL4402816 0.84 MAPK8 (0.57) MAPK8MAPK9MAPK10IRAK4GSK3B
SCHEMBL2752873 0.84 MAPK8 (0.57) MAPK8MAPK9MAPK10IRAK4GSK3B

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.