SCHEMBL1799499

SCHEMBL1799499

CN1CCC(c2nc(-c3cn(S(=O)(=O)c4ccccc4)c4nccc(C5=CCCC5)c34)cs2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.37
DRD3 P35462 2/20 0.35
BRD4 O60885 1/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL1799497 0.85 BRD4 (0.37) HTR6DRD3BRD4ATP4AATP4B
SCHEMBL8172065 0.83 BRD4 (0.37) HTR6DRD3BRD4ATP4AATP4B
SCHEMBL1798572 0.79 ATP4A (0.37) HTR6BRD4ATP4AATP4B
SCHEMBL1799502 0.78 HTR6 (0.36) HTR6DRD3HRH3
SCHEMBL2752312 0.76 PDPK1 (0.41) HTR6BRD4
SCHEMBL8174907 0.76 HTR6 (0.39) HTR6DRD3BRD4ATP4AATP4B
SCHEMBL1800049 0.76 HTR6 (0.39) HTR6DRD3BRD4ATP4AATP4B
SCHEMBL8168890 0.75 HTR6 (0.40) HTR6DRD3BRD4HRH3CTSL
SCHEMBL1799069 0.74 HTR6 (0.38) HTR6DRD3BRD4ATP4AATP4B
SCHEMBL8172357 0.74 HTR6 (0.38) HTR6DRD3BRD4ATP4AATP4B

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 HTR6 2021/4885DRD3 2479/4885BRD4 728/4885

“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.