SCHEMBL1799505

SCHEMBL1799505

CN1CCC(c2csc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(C5=CCC(N6CCOCC6)CC5)cc34)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HIF1A Q16665 1/20 0.34
ACVR1 Q04771 2/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
HTR6 P50406 2/20 0.32
IKBKB O14920 1/20 0.32
AKT1 P31749 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
TNKS O95271 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31
HSD11B1 P28845 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
SCHEMBL1801284 0.88 BRD4 (0.34) BRD4ALDH1A1LMNAMAPTHIF1A
SCHEMBL1796224 0.86 BRD4 (0.35) BRD4ALDH1A1LMNAMAPTHIF1A
SCHEMBL1798005 0.86 BRD4 (0.46) BRD4ALDH1A1LMNAMAPTHIF1A
SCHEMBL1796858 0.85 MAPK8 (0.40) BRD4ALDH1A1LMNAMAPTHIF1A
SCHEMBL1796860 0.85 MAPK8 (0.40) BRD4ALDH1A1LMNAMAPTHIF1A
SCHEMBL8175513 0.85 MAPK8 (0.40) BRD4ALDH1A1LMNAMAPTHIF1A
SCHEMBL12652376 0.84 IRAK4 (0.32) ACVR1
SCHEMBL2753526 0.83 PDPK1 (0.40) BRD4ACVR1BMPR1BBMPR1AACVR1B
SCHEMBL2751661 0.81 MAPK8 (0.41) BRD4ACVR1BMPR1BBMPR1AACVR1B
SCHEMBL8178143 0.80 BRD4 (0.37) BRD4ACVR1BMPR1BBMPR1AACVR1B

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-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 2520/4885LMNA 3997/4885

“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.