SCHEMBL1799609

SCHEMBL1799609

O=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(C3=CCC4(CC3)OCCO4)cnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.37
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
PTPN11 Q06124 1/20 0.33
HTR6 P50406 7/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
PDPK1 O15530 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
USP2 O75604 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
SCHEMBL1801394 0.86 BRD4 (0.35) BRD4IKBKETBK1PTPN11HTR6
SCHEMBL2753133 0.84 PDPK1 (0.42) BRD4IKBKETBK1PTPN11HTR6
SCHEMBL1801618 0.84 BRD4 (0.46) BRD4IKBKETBK1PTPN11USP2
SCHEMBL1800463 0.83 FFAR2 (0.43) BRD4PTPN11HTR6PDPK1
SCHEMBL8178458 0.83 BRD4 (0.37) BRD4IKBKETBK1PTPN11HTR6
SCHEMBL4555856 0.83 BRD4 (0.36) BRD4IKBKETBK1PTPN11HTR6
SCHEMBL12652363 0.81 IKBKE (0.33) IKBKETBK1
SCHEMBL2752162 0.81 BRD4 (0.36) BRD4IKBKETBK1PTPN11HTR6
SCHEMBL2754038 0.81 BRD4 (0.35) BRD4IKBKETBK1PTPN11HTR6
SCHEMBL1798945 0.80 BRD4 (0.44) BRD4PTPN11HTR6PDPK1PIK3CD

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 BRD4 728/4885IKBKE 58/4885TBK1 820/4885

“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.