SCHEMBL1801233

SCHEMBL1801233

O=S(=O)(c1ccccc1)n1cc(I)c2cc(C3CCC(N4CCCOCC4)CC3)cnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.47
MAPK9 P45984 2/20 0.47
MAPK10 P53779 2/20 0.47
BRD4 O60885 1/20 0.47
HPGD P15428 1/20 0.39
ACVR1 Q04771 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 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
IRAK4 Q9NWZ3 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD3 P35462 2/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD11B1 P28845 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 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
SCHEMBL1801235 1.00 MAPK8 (0.47) MAPK8MAPK9MAPK10BRD4HPGD
SCHEMBL4401919 0.85 MAPK8 (0.60) MAPK8MAPK9MAPK10BRD4HPGD
SCHEMBL2753233 0.85 MAPK8 (0.60) MAPK8MAPK9MAPK10BRD4HPGD
SCHEMBL2753230 0.85 MAPK8 (0.60) MAPK8MAPK9MAPK10BRD4HPGD
SCHEMBL1798867 0.83 MAPK8 (0.43) MAPK8MAPK9MAPK10BRD4HPGD
SCHEMBL1798869 0.83 MAPK8 (0.43) MAPK8MAPK9MAPK10BRD4HPGD
SCHEMBL1800094 0.83 MAPK8 (0.43) MAPK8MAPK9MAPK10BRD4HPGD
SCHEMBL1800093 0.83 MAPK8 (0.43) MAPK8MAPK9MAPK10BRD4HPGD
SCHEMBL4402816 0.83 MAPK8 (0.57) MAPK8MAPK9MAPK10BRD4HPGD
SCHEMBL2752873 0.83 MAPK8 (0.57) MAPK8MAPK9MAPK10BRD4HPGD

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.