SCHEMBL1798577

SCHEMBL1798577

CN1CCC(c2nc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(C5CCC(N6CCN(C)CC6)CC5)cc34)cs2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 9/20 0.37
HTR6 P50406 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
DRD3 P35462 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BRD4 O60885 1/20 0.35
TEK Q02763 1/20 0.33
FAAH O00519 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
SCHEMBL1798579 1.00 ACVR1 (0.37) ACVR1HTR6SMN1; SMN2BMPR1BBMPR1A
SCHEMBL8176428 1.00 ACVR1 (0.37) ACVR1HTR6SMN1; SMN2BMPR1BBMPR1A
SCHEMBL8181787 0.96 HTR6 (0.36) ACVR1HTR6SMN1; SMN2BMPR1BBMPR1A
SCHEMBL1798465 0.96 HTR6 (0.36) ACVR1HTR6SMN1; SMN2BMPR1BBMPR1A
SCHEMBL1798466 0.96 HTR6 (0.36) ACVR1HTR6SMN1; SMN2BMPR1BBMPR1A
SCHEMBL8181794 0.94 MAPK8 (0.39) ACVR1HTR6SMN1; SMN2BMPR1BBMPR1A
SCHEMBL1799201 0.94 MAPK8 (0.39) ACVR1HTR6SMN1; SMN2BMPR1BBMPR1A
SCHEMBL1799200 0.94 MAPK8 (0.39) ACVR1HTR6SMN1; SMN2BMPR1BBMPR1A
SCHEMBL1798453 0.92 MAPK8 (0.42) ACVR1HTR6BMPR1BBMPR1AACVR1B
SCHEMBL1798455 0.92 MAPK8 (0.42) ACVR1HTR6BMPR1BBMPR1AACVR1B

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 ACVR1 4459/4885HTR6 2021/4885SMN1; SMN2 1124/4885

“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.