SCHEMBL1799500

SCHEMBL1799500

CN1CCC(c2nc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(C5=C=CC=C5)cc34)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.39
HTR6 P50406 4/20 0.34
ATP4A P20648 3/20 0.34
ATP4B P51164 3/20 0.34
PDPK1 O15530 1/20 0.33
HPGDS O60760 1/20 0.32
PTPN11 Q06124 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD3 P35462 1/20 0.31

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
SCHEMBL1800049 0.84 HTR6 (0.39) BRD4HTR6ATP4AATP4BALDH1A1
SCHEMBL8174907 0.84 HTR6 (0.39) BRD4HTR6ATP4AATP4BDRD3
SCHEMBL8172065 0.83 BRD4 (0.37) BRD4HTR6ATP4AATP4BHPGDS
SCHEMBL1799497 0.83 BRD4 (0.37) BRD4HTR6ATP4AATP4BHPGDS
SCHEMBL8168890 0.82 HTR6 (0.40) BRD4HTR6ALDH1A1LMNAMAPT
SCHEMBL3347328 0.80 HTR6 (0.38) BRD4HTR6ATP4AATP4BPDPK1
SCHEMBL8172357 0.80 HTR6 (0.38) BRD4HTR6ATP4AATP4BDRD3
SCHEMBL1799069 0.80 HTR6 (0.38) BRD4HTR6ATP4AATP4BDRD3
SCHEMBL3346600 0.80 HTR6 (0.38) BRD4HTR6ATP4AATP4BALDH1A1
SCHEMBL1798575 0.79 BRD4 (0.39) BRD4HTR6ATP4AATP4BPDPK1

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 4 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
EP-2125801-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES 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-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 BRD4 728/4885HTR6 2021/4885ATP4A 4412/4885

“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.