SCHEMBL1801425

SCHEMBL1801425

CN1CCC(c2nc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(C5=CCC6(CC5)OCCO6)cc34)cs2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.36
HTR6 P50406 4/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
PTPN11 Q06124 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
FAAH O00519 1/20 0.31
DRD3 P35462 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30
F2RL3 Q96RI0 1/20 0.30

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
SCHEMBL1801277 0.90 BRD4 (0.35) BRD4HTR6PTPN11SUV39H2
SCHEMBL1801618 0.87 BRD4 (0.46) BRD4PTPN11SUV39H2
SCHEMBL8172065 0.86 BRD4 (0.37) BRD4HTR6DRD3HRH3
SCHEMBL1799497 0.86 BRD4 (0.37) BRD4HTR6CTSLCTSBCTSS
SCHEMBL1794734 0.85 BRD4 (0.35) BRD4HTR6CTSLCTSBCTSS
SCHEMBL1798773 0.82 PDPK1 (0.36) BRD4PTPN11SUV39H2F2RL3
SCHEMBL4555856 0.82 BRD4 (0.36) BRD4HTR6PTPN11SUV39H2
SCHEMBL1799532 0.81 HTR2C (0.36) BRD4PTPN11
SCHEMBL1801284 0.81 BRD4 (0.34) BRD4HTR6
SCHEMBL2753133 0.80 PDPK1 (0.42) BRD4HTR6PTPN11SUV39H2

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 728/4885HTR6 2021/4885CTSL 4128/4885

“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.