SCHEMBL1798945

SCHEMBL1798945

O=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(-c3ccccc3)cnc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.44
PTPN11 Q06124 1/20 0.43
HTR6 P50406 5/20 0.41
PDPK1 O15530 2/20 0.40
KAT6A Q92794 1/20 0.39
KDR P35968 1/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
GSK3B P49841 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
LRRK2 Q5S007 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL13745552 0.90 PTPN11 (0.42) BRD4PTPN11HTR6PDPK1PIK3CA
SCHEMBL8321770 0.90 BRD4 (0.41) BRD4PTPN11HTR6PDPK1KAT6A
SCHEMBL13745663 0.89 BRD4 (0.41) BRD4PTPN11HTR6PDPK1KAT6A
SCHEMBL1802459 0.87 HTR6 (0.40) BRD4PTPN11HTR6PDPK1KAT6A
SCHEMBL13745811 0.85 SCN9A (0.43) BRD4PTPN11HTR6DRD2HTR2A
SCHEMBL1800463 0.85 FFAR2 (0.43) BRD4PTPN11HTR6PDPK1KDR
SCHEMBL29606686 0.83 HTR6 (0.51) HTR6PDPK1DRD2HTR2AHTR7
SCHEMBL1798942 0.81 MEN1 (0.37) BRD4HTR6KDRDRD2HTR2A
SCHEMBL1799609 0.80 BRD4 (0.37) BRD4PTPN11HTR6PDPK1DRD2
SCHEMBL1802454 0.80 HTR6 (0.35) BRD4HTR6DRD2HTR2AHTR7

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 412/4885HTR6 2021/4885

“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.