SCHEMBL1799200

SCHEMBL1799200

CN1CCC(c2nc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(C5CCC(N6CCOCC6)CC5)cc34)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
ACVR1 Q04771 6/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
BRD4 O60885 2/20 0.35
HTR6 P50406 4/20 0.35
HSD11B1 P28845 1/20 0.34
DRD3 P35462 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
IKBKB O14920 1/20 0.33
FAAH O00519 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HIF1A Q16665 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
SCHEMBL1799201 1.00 MAPK8 (0.39) MAPK8MAPK9MAPK10ACVR1BMPR1B
SCHEMBL8181794 1.00 MAPK8 (0.39) MAPK8MAPK9MAPK10ACVR1BMPR1B
SCHEMBL1798455 0.97 MAPK8 (0.42) MAPK8MAPK9MAPK10ACVR1BMPR1B
SCHEMBL8165839 0.97 MAPK8 (0.42) MAPK8MAPK9MAPK10ACVR1BMPR1B
SCHEMBL1798453 0.97 MAPK8 (0.42) MAPK8MAPK9MAPK10ACVR1BMPR1B
SCHEMBL1798577 0.94 ACVR1 (0.37) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL8176428 0.94 ACVR1 (0.37) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL1798579 0.94 ACVR1 (0.37) ACVR1BMPR1BBMPR1AACVR1BTGFBR1
SCHEMBL1798466 0.94 HTR6 (0.36) MAPK8MAPK9MAPK10ACVR1BMPR1B
SCHEMBL8181787 0.94 HTR6 (0.36) MAPK8MAPK9MAPK10ACVR1BMPR1B

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.