SCHEMBL1801781

SCHEMBL1801781

Cc1nc(-c2c(C3C=CCCC3)n(S(=O)(=O)c3ccccc3)c3ncccc23)cs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.39
LATS1 O95835 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
PDE4A P27815 1/20 0.35
BRD4 O60885 1/20 0.34
USP2 O75604 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 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
SCHEMBL1802369 0.90 PTGDR2 (0.38) PTGDR2LATS1CYP2C19
SCHEMBL1802958 0.86 PTGDR2 (0.41) PTGDR2LATS1ALDH1A1GAATSHR
SCHEMBL1800468 0.82 PTGDR2 (0.37) PTGDR2LATS1ALDH1A1LMNAUSP2
SCHEMBL2750996 0.79 PTGDR2 (0.38) PTGDR2LATS1MAPTPDE4A
SCHEMBL1801778 0.74 BRD4 (0.44) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL1802880 0.69 CDK1 (0.39) RAB9APDE4A
SCHEMBL2752579 0.67 PTGDR2 (0.38) PTGDR2LATS1PDE4A
SCHEMBL1802365 0.66 BRD4 (0.35) BRD4
SCHEMBL1798576 0.64 PTGDR2 (0.43) PTGDR2LATS1ALDH1A1MAPTGAA
SCHEMBL13008027 0.64 PTGDR2 (0.54) PTGDR2LATS1CYP2C19

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 4 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-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

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 PTGDR2 2440/4885LATS1 1198/4885ALDH1A1 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.