SCHEMBL1801284

SCHEMBL1801284

CN1CCC(c2nc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(C5=CCC(N6CCCOCC6)CC5)cc34)cs2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.34
ACVR1 Q04771 4/20 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 0.31
HSD11B1 P28845 1/20 0.31
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HIF1A Q16665 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1799505 0.88 BRD4 (0.36) BRD4ACVR1BMPR1BBMPR1AACVR1B
SCHEMBL1798005 0.87 BRD4 (0.46) BRD4ACVR1BMPR1BBMPR1AACVR1B
SCHEMBL1798453 0.86 MAPK8 (0.42) BRD4ACVR1BMPR1BBMPR1AACVR1B
SCHEMBL1798455 0.86 MAPK8 (0.42) BRD4ACVR1BMPR1BBMPR1AACVR1B
SCHEMBL8165839 0.86 MAPK8 (0.42) BRD4ACVR1BMPR1BBMPR1AACVR1B
SCHEMBL12652268 0.85 MAPK8 (0.33) ACVR1
SCHEMBL8172065 0.85 BRD4 (0.37) BRD4HTR6LMNAMAPTALDH1A1
SCHEMBL1799497 0.85 BRD4 (0.37) BRD4HTR6LMNAMAPTALDH1A1
SCHEMBL2751661 0.83 MAPK8 (0.41) BRD4ACVR1BMPR1BBMPR1AACVR1B
SCHEMBL1799201 0.83 MAPK8 (0.39) 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 728/4885ACVR1 4459/4885BMPR1B 4247/4885

“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.