SCHEMBL1801618

SCHEMBL1801618

Cc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CCC5(CC4)OCCO5)cc23)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.46
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN11 Q06124 1/20 0.35
ATP4A P20648 3/20 0.34
ATP4B P51164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 4/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
HTT P42858 4/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.32
RAB9A P51151 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
SCHEMBL1798773 0.88 PDPK1 (0.36) BRD4PTPN11ATP4AATP4BSUV39H2
SCHEMBL1801425 0.87 BRD4 (0.36) BRD4PTPN11SUV39H2
SCHEMBL1801277 0.86 BRD4 (0.35) BRD4USP2PTPN11ATP4AATP4B
SCHEMBL4555856 0.85 BRD4 (0.36) BRD4PTPN11SUV39H2IKBKETBK1
SCHEMBL1799532 0.85 HTR2C (0.36) BRD4ALDH1A1MAPTUSP2HPGD
SCHEMBL1801394 0.84 BRD4 (0.35) BRD4PTPN11SUV39H2IKBKETBK1
SCHEMBL1801776 0.84 BRD4 (0.49) BRD4ALDH1A1MAPTUSP2HPGD
SCHEMBL1799609 0.84 BRD4 (0.37) BRD4ALDH1A1USP2PTPN11IKBKE
SCHEMBL2753133 0.83 PDPK1 (0.42) BRD4PTPN11SUV39H2IKBKETBK1
SCHEMBL12652523 0.82 SUV39H2 (0.36) ALDH1A1SUV39H2IKBKETBK1RAB9A

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 BRD4 728/4885ALDH1A1 2520/4885MAPT 509/4885

“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.