SCHEMBL4402010

SCHEMBL4402010

Cc1nn(C)cc1-c1cn(S(=O)(=O)c2ccccc2)c2ncc(C3CCC4(CC3)OCCO4)cc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.39
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PTPN11 Q06124 1/20 0.33
HTT P42858 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
HTR6 P50406 1/20 0.33
PDPK1 O15530 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL8178509 0.87 BRD4 (0.41) BRD4PTPN11HTR6PDPK1
SCHEMBL2754395 0.87 BRD4 (0.38) BRD4POLBALDH1A1CCNCCDK8
SCHEMBL2752909 0.87 PDPK1 (0.39) BRD4POLBALDH1A1PTPN11HTT
SCHEMBL8176943 0.86 BRD4 (0.39) BRD4POLBALDH1A1CCNCCDK8
SCHEMBL2754034 0.85 BRD4 (0.40) BRD4CCNCCDK8PTPN11HTR6
SCHEMBL2751905 0.84 MAPK8 (0.44) BRD4CCNE1CDK2
SCHEMBL4406150 0.84 MAPK8 (0.44) BRD4CCNE1CDK2
SCHEMBL2751908 0.84 MAPK8 (0.44) BRD4CCNE1CDK2
SCHEMBL1800406 0.82 BRD4 (0.46) BRD4POLBALDH1A1HTTHTR6
SCHEMBL8169620 0.82 PDPK1 (0.38) BRD4POLBPTPN11CDK2HTR6

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
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 EP disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE 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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 BRD4 780/4885POLB 4206/4885ALDH1A1 2619/4885

“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.