SCHEMBL1801776

SCHEMBL1801776

Cc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CCCCC4)cc23)cs1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.49
FFAR2 O15552 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
PSMB5 P28074 1/20 0.39
ATP4A P20648 3/20 0.38
ATP4B P51164 3/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN11 Q06124 1/20 0.37
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1802363 0.89 BRD4 (0.39) BRD4FFAR2PSMB5ATP4AATP4B
SCHEMBL1800221 0.86 BRD4 (0.55) BRD4NPSR1ATP4AATP4BALDH1A1
SCHEMBL1802952 0.86 PDPK1 (0.38) BRD4FFAR2ATP4AATP4BALDH1A1
SCHEMBL8172065 0.85 BRD4 (0.37) BRD4FFAR2ATP4AATP4BALDH1A1
SCHEMBL1798570 0.84 PDPK1 (0.39) BRD4FFAR2ATP4AATP4BALDH1A1
SCHEMBL1801618 0.84 BRD4 (0.46) BRD4NPSR1ATP4AATP4BALDH1A1
SCHEMBL1799497 0.83 BRD4 (0.37) BRD4FFAR2ATP4AATP4BALDH1A1
SCHEMBL1798005 0.82 BRD4 (0.46) BRD4NPSR1ALDH1A1HTTLMNA
SCHEMBL1800463 0.81 FFAR2 (0.43) BRD4FFAR2PSMB5PTPN11
SCHEMBL2750989 0.81 PDPK1 (0.46) BRD4FFAR2PSMB5PTPN11

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 9 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
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
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 728/4885FFAR2 3264/4885NPSR1 3018/4885

“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.