SCHEMBL1798575

SCHEMBL1798575

CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=C=CC=C4)cc23)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.39
PTPN11 Q06124 1/20 0.37
CDK5 Q00535 3/20 0.37
CDK5R1 Q15078 3/20 0.37
ATP4A P20648 3/20 0.37
ATP4B P51164 3/20 0.37
PDPK1 O15530 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.35
PTGS2 P35354 1/20 0.34
GAA P10253 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 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
SCHEMBL1798014 0.88 PTPN11 (0.45) BRD4PTPN11CDK5CDK5R1ATP4A
SCHEMBL8478692 0.84 CDK5 (0.41) BRD4PTPN11CDK5CDK5R1ATP4A
SCHEMBL1802029 0.84 CDK5 (0.41) BRD4PTPN11CDK5CDK5R1ATP4A
SCHEMBL1802952 0.82 PDPK1 (0.38) BRD4PTPN11CDK5CDK5R1ATP4A
SCHEMBL1798570 0.82 PDPK1 (0.39) BRD4PTPN11CDK5CDK5R1ATP4A
SCHEMBL3355063 0.82 CDK5 (0.40) BRD4PTPN11CDK5CDK5R1ATP4A
SCHEMBL1800109 0.81 PTPN11 (0.37) BRD4PTPN11CDK5CDK5R1ATP4A
SCHEMBL3349790 0.81 PDPK1 (0.41) BRD4PTPN11CDK5CDK5R1ATP4A
SCHEMBL1797821 0.80 PDPK1 (0.39) BRD4PTPN11CDK5CDK5R1ATP4A
SCHEMBL1799500 0.79 BRD4 (0.39) BRD4PTPN11ATP4AATP4BPDPK1

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 728/4885PTPN11 412/4885CDK5 83/4885

“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.