SCHEMBL1798005

SCHEMBL1798005

Cc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CCC(N5CCOCC5)CC4)cc23)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.46
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
LMNA P02545 4/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ACVR1 Q04771 2/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
SCHEMBL1801284 0.87 BRD4 (0.34) BRD4ALDH1A1MAPTLMNAHTT
SCHEMBL1799505 0.86 BRD4 (0.36) BRD4ALDH1A1MAPTLMNAACVR1
SCHEMBL1796224 0.85 BRD4 (0.35) BRD4ALDH1A1MAPTLMNAACVR1
SCHEMBL2753526 0.84 PDPK1 (0.40) BRD4IRAK4ACVR1BMPR1BBMPR1A
SCHEMBL12652520 0.83 IRAK4 (0.43) ALDH1A1MAPTGAAUSP2HPGD
SCHEMBL8167338 0.83 BRD4 (0.45) BRD4ALDH1A1MAPTGAAUSP2
SCHEMBL1799812 0.83 BRD4 (0.45) BRD4ALDH1A1MAPTGAAUSP2
SCHEMBL1799810 0.83 BRD4 (0.45) BRD4ALDH1A1MAPTGAAUSP2
SCHEMBL8178143 0.82 BRD4 (0.37) BRD4ACVR1BMPR1BBMPR1AACVR1B
SCHEMBL2751661 0.82 MAPK8 (0.41) BRD4IRAK4ACVR1BMPR1BBMPR1A

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 8 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
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 728/4885ALDH1A1 2520/4885MAPT 509/4885

“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.