SCHEMBL1801778

SCHEMBL1801778

Cc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(C4C=CCCC4)c23)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
ALDH1A1 P00352 6/20 0.37
LMNA P02545 5/20 0.37
HTT P42858 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
ATP4A P20648 3/20 0.35
ATP4B P51164 3/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
USP2 O75604 3/20 0.33
IRS1 P35568 1/20 0.33
GAB1 Q13480 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL1802365 0.89 BRD4 (0.35) BRD4ATP4AATP4BCCNB2CDK1
SCHEMBL1802954 0.87 CDK5 (0.34) BRD4ALDH1A1LMNAHTTNPSR1
SCHEMBL1800464 0.83 HTR6 (0.33) BRD4ALDH1A1TSHRUSP2HTR6
SCHEMBL2750991 0.80 PDPK1 (0.39) BRD4HTR6CYP2C19
SCHEMBL1801781 0.74 PTGDR2 (0.39) BRD4ALDH1A1LMNAHTTNPSR1
SCHEMBL1802877 0.72 ROCK1 (0.46) RAB9ASMN1; SMN2
SCHEMBL1800219 0.69 BRD4 (0.48) BRD4ALDH1A1LMNAHTTNPSR1
SCHEMBL2277440 0.68 PDPK1 (0.37) BRD4HTR6
SCHEMBL1799499 0.68 HTR6 (0.37) BRD4ATP4AATP4BHTR6
SCHEMBL1801776 0.68 BRD4 (0.49) BRD4ALDH1A1LMNAHTTNPSR1

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 728/4885ALDH1A1 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.