SCHEMBL8175357

SCHEMBL8175357

O=S(=O)(c1ccccc1)n1cc(-c2cscn2)c2cc(C3CCCCC3)cnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.36
BRD4 O60885 7/20 0.36
HTR6 P50406 6/20 0.35
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GBA1 P04062 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL1803283 0.87 POLB (0.36) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL1800219 0.84 BRD4 (0.48) BRD4HTR6DRD2TSHRNPSR1
SCHEMBL20562812 0.84 IMPDH2 (0.43) KDRBRD4HTR6DRD2HTR2A
SCHEMBL8182406 0.83 BRD4 (0.38) KDRBRD4HTR6MEN1TSHR
SCHEMBL8180886 0.82 BRD4 (0.38) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL8174622 0.81 PKM (0.42) KDRBRD4HTR6DRD2HTR2A
SCHEMBL1798942 0.81 MEN1 (0.37) KDRBRD4HTR6DRD2HTR2A
SCHEMBL8174779 0.81 BRD4 (0.37) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL8183550 0.80 BRD4 (0.39) KDRBRD4HTR6DRD2HTR2A
SCHEMBL8168890 0.80 HTR6 (0.40) BRD4HTR6DRD2HTR2AHTR7

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 5 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-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 KDR 4604/4885BRD4 728/4885HTR6 2021/4885

“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.