SCHEMBL1801756

SCHEMBL1801756

CC(C)(C)OC(=O)N1CCC(c2csc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)cc34)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
GPR119 Q8TDV5 11/20 0.41
TGFBR1 P36897 2/20 0.38
PRMT5 O14744 1/20 0.37
HPGDS O60760 1/20 0.37
PIK3CA P42336 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL1798902 0.89 HTR6 (0.41) HTR6GPR119TGFBR1
SCHEMBL1797160 0.86 HTR6 (0.39) HTR6
SCHEMBL25924807 0.81 TNK2 (0.46) HTR6GPR119
SCHEMBL8445677 0.80 HTR6 (0.41) HTR6GPR119TGFBR1USP30
SCHEMBL8177018 0.80 CPT1A (0.41) HTR6USP30
SCHEMBL14031039 0.77 HTR6 (0.41) HTR6PIK3CA
SCHEMBL24576440 0.76 HTR6 (0.44) HTR6GPR119TGFBR1PRMT5HPGDS
SCHEMBL29762655 0.76 HTR6 (0.44) HTR6GPR119TGFBR1PRMT5HPGDS
SCHEMBL13746209 0.74 HTR6 (0.40) HTR6PIK3CA
SCHEMBL1800049 0.74 HTR6 (0.39) HTR6

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 7 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-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-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
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
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
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 2021/4885GPR119 1071/4885TGFBR1 3843/4885

“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.