SCHEMBL1799532

SCHEMBL1799532

O=C(c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CCC5(CC4)OCCO5)cc23)cs1)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
BRD4 O60885 4/20 0.33
ALDH1A1 P00352 9/20 0.32
TSHR P16473 2/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTPN11 Q06124 1/20 0.32
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
HPGD P15428 3/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 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
SCHEMBL1798773 0.86 PDPK1 (0.36) BRD4IKBKETBK1PTPN11
SCHEMBL1801618 0.85 BRD4 (0.46) BRD4ALDH1A1TSHRIKBKETBK1
SCHEMBL1796311 0.83 HTR2C (0.37) HTR2CBRD4ALDH1A1TSHRCYP1A2
SCHEMBL1801277 0.82 BRD4 (0.35) BRD4PTPN11SMN1; SMN2USP2MEN1
SCHEMBL4555856 0.82 BRD4 (0.36) BRD4IKBKETBK1PTPN11POLB
SCHEMBL1801425 0.81 BRD4 (0.36) BRD4PTPN11
SCHEMBL1798354 0.80 HTR2C (0.40) HTR2CBRD4ALDH1A1MAPTSMN1; SMN2
SCHEMBL1801394 0.79 BRD4 (0.35) BRD4IKBKETBK1PTPN11POLB
SCHEMBL1799609 0.79 BRD4 (0.37) BRD4ALDH1A1IKBKETBK1CYP3A4
SCHEMBL2753133 0.77 PDPK1 (0.42) BRD4IKBKETBK1PTPN11POLB

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 7 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
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 HTR2C 2136/4885BRD4 728/4885ALDH1A1 2520/4885

“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.