SCHEMBL4402909

SCHEMBL4402909

Cc1c(-c2cn(S(=O)(=O)c3ccccc3)c3ncc([C@H]4CC[C@@H](N5CCOCC5)CC4)cc23)cnn1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
ACVR1 Q04771 8/20 0.42
IRAK4 Q9NWZ3 3/20 0.42
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 5/20 0.37
HSD11B1 P28845 1/20 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
SCHEMBL2753313 1.00 MAPK8 (0.44) MAPK8MAPK9MAPK10ACVR1IRAK4
SCHEMBL2753316 1.00 MAPK8 (0.44) MAPK8MAPK9MAPK10ACVR1IRAK4
SCHEMBL2751905 0.87 MAPK8 (0.44) MAPK8MAPK9MAPK10ACVR1IRAK4
SCHEMBL2751908 0.87 MAPK8 (0.44) MAPK8MAPK9MAPK10ACVR1IRAK4
SCHEMBL4406150 0.87 MAPK8 (0.44) MAPK8MAPK9MAPK10ACVR1IRAK4
SCHEMBL2753209 0.87 MAPK8 (0.58) MAPK8MAPK9MAPK10ACVR1IRAK4
SCHEMBL2753208 0.87 MAPK8 (0.58) MAPK8MAPK9MAPK10ACVR1IRAK4
SCHEMBL4401825 0.87 MAPK8 (0.58) MAPK8MAPK9MAPK10ACVR1IRAK4
SCHEMBL8177630 0.86 BRD4 (0.39) BRD4
SCHEMBL4401919 0.84 MAPK8 (0.60) MAPK8MAPK9MAPK10ACVR1IRAK4

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 3 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
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO 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.