SCHEMBL1803283

SCHEMBL1803283

O=S(=O)(c1ccccc1)n1cc(-c2cscn2)c2cc(C3CCC4(CC3)OCCO4)cnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
BRD4 O60885 7/20 0.35
HTR6 P50406 2/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HTT P42858 1/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
LMNA P02545 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
KDM4E B2RXH2 1/20 0.30
C5AR1 P21730 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
GBA1 P04062 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 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
SCHEMBL4553699 0.87 POLB (0.37) POLBBRD4HTR6CCNCCDK8
SCHEMBL8175357 0.87 KDR (0.36) BRD4HTR6HTTLMNAHTR1A
SCHEMBL1800406 0.86 BRD4 (0.46) POLBBRD4HTR6ALDH1A1HTT
SCHEMBL1795815 0.83 POLB (0.36) POLBBRD4HTR6CCNCCDK8
SCHEMBL1794734 0.82 BRD4 (0.35) POLBBRD4HTR6ALDH1A1HTT
SCHEMBL2752909 0.82 PDPK1 (0.39) POLBBRD4HTR6ALDH1A1HTT
SCHEMBL1798526 0.82 BRD4 (0.51) POLBBRD4HTR6ALDH1A1HTT
SCHEMBL1799105 0.82 POLB (0.34) POLBBRD4HTR6CCNCCDK8
SCHEMBL8184787 0.82 POLB (0.36) POLBBRD4HTR6CCNCCDK8
SCHEMBL1797528 0.81 BRD4 (0.34) POLBBRD4HTR6ALDH1A1HTT

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 POLB 3815/4885BRD4 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.