SCHEMBL2754353

SCHEMBL2754353

Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4CCC(F)(F)CC4)cc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
GSK3B P49841 4/20 0.38
DYRK1A Q13627 4/20 0.38
WNT1 P04628 2/20 0.38
BRD4 O60885 7/20 0.38
IRAK1 P51617 1/20 0.38
HTR6 P50406 3/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
PTPN11 Q06124 1/20 0.34

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
SCHEMBL2753753 0.90 PDPK1 (0.43) PDPK1GSK3BDYRK1AWNT1BRD4
SCHEMBL4402761 0.90 PDPK1 (0.43) PDPK1GSK3BDYRK1AWNT1BRD4
SCHEMBL4242653 0.90 PDPK1 (0.39) PDPK1GSK3BDYRK1AWNT1BRD4
SCHEMBL2752042 0.89 PDPK1 (0.43) PDPK1GSK3BDYRK1AWNT1BRD4
SCHEMBL2752053 0.89 PDPK1 (0.43) PDPK1GSK3BDYRK1AWNT1BRD4
SCHEMBL2752909 0.89 PDPK1 (0.39) PDPK1GSK3BDYRK1AWNT1BRD4
SCHEMBL2752466 0.88 PDPK1 (0.42) PDPK1GSK3BDYRK1AWNT1BRD4
SCHEMBL2753991 0.88 MAPK8 (0.41) PDPK1GSK3BDYRK1AWNT1BRD4
SCHEMBL2753993 0.88 MAPK8 (0.41) PDPK1GSK3BDYRK1AWNT1BRD4
SCHEMBL4406269 0.88 MAPK8 (0.41) PDPK1GSK3BDYRK1AWNT1BRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
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
EP-2109611-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-10-21 EP 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
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 PDPK1 424/4885GSK3B 369/4885DYRK1A 976/4885

“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.