SCHEMBL1798996

SCHEMBL1798996

CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4CCC5(CC4)OCCO5)cc23)cs1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
CDK5 Q00535 3/20 0.37
CDK5R1 Q15078 3/20 0.37
BRD4 O60885 4/20 0.35
ALDH1A1 P00352 3/20 0.34
NR1H4 Q96RI1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN11 Q06124 1/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
MAPT P10636 1/20 0.32
C5AR1 P21730 1/20 0.32
GBA1 P04062 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL1798013 0.89 PDPK1 (0.40) PDPK1CDK5CDK5R1BRD4ALDH1A1
SCHEMBL12616932 0.89 PDPK1 (0.39) PDPK1CDK5CDK5R1BRD4ALDH1A1
SCHEMBL1801187 0.88 PDPK1 (0.39) PDPK1CDK5CDK5R1BRD4ALDH1A1
SCHEMBL1800406 0.87 BRD4 (0.46) BRD4ALDH1A1KDM4EHSD17B10GAA
SCHEMBL1796311 0.85 HTR2C (0.37) BRD4ALDH1A1KDM4EHSD17B10GAA
SCHEMBL1798773 0.83 PDPK1 (0.36) PDPK1CDK5CDK5R1BRD4NR1H4
SCHEMBL1794734 0.83 BRD4 (0.35) BRD4ALDH1A1
SCHEMBL1797528 0.82 BRD4 (0.34) BRD4ALDH1A1
SCHEMBL12652530 0.81 PDPK1 (0.35) PDPK1BRD4ALDH1A1KDM4EHSD17B10
SCHEMBL1802029 0.81 CDK5 (0.41) PDPK1CDK5CDK5R1BRD4ALDH1A1

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-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-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
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 PDPK1 546/4885CDK5 83/4885CDK5R1 164/4885

“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.