SCHEMBL1802365

SCHEMBL1802365

CCN(CC)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(C4C=CCCC4)c23)cs1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
ATP4A P20648 3/20 0.33
ATP4B P51164 3/20 0.33
UCHL1 P09936 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
HTR6 P50406 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
SCHEMBL1801778 0.89 BRD4 (0.44) BRD4ATP4AATP4BCCNB2CDK1
SCHEMBL1802954 0.86 CDK5 (0.34) BRD4ATP4AATP4B
SCHEMBL1800464 0.79 HTR6 (0.33) BRD4HTR6
SCHEMBL1802369 0.77 PTGDR2 (0.38) UCHL1HTR6
SCHEMBL2750991 0.77 PDPK1 (0.39) BRD4HTR6
SCHEMBL1799233 0.75 CCNT1 (0.36)
SCHEMBL1802363 0.71 BRD4 (0.39) BRD4ATP4AATP4BHTR6
SCHEMBL1802367 0.70 BRD4 (0.43) BRD4ATP4AATP4BHTR6
SCHEMBL1795048 0.70 BRD4 (0.40) BRD4ATP4AATP4BHTR6
SCHEMBL1799236 0.70 CDK1 (0.36) UCHL1CCNB2CDK1CCNB1CCNB3

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 728/4885ATP4A 4412/4885ATP4B 4542/4885

“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.