SCHEMBL2752579

SCHEMBL2752579

Cn1cc(-c2c(C3CC=CCCC3)n(S(=O)(=O)c3ccccc3)c3ncccc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.38
CDK2 P24941 3/20 0.37
CCNA2 P20248 2/20 0.37
HTR6 P50406 6/20 0.35
LATS1 O95835 1/20 0.35
PDPK1 O15530 1/20 0.35
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CHEK1 O14757 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TTK P33981 1/20 0.33
MAPK8 P45983 1/20 0.33
CCNE1 P24864 1/20 0.33
PDE4A P27815 1/20 0.33
MET P08581 1/20 0.32
CCNA1 P78396 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
SCHEMBL2750996 0.87 PTGDR2 (0.38) PTGDR2CDK2CCNA2HTR6LATS1
SCHEMBL2752315 0.75 PTGDR2 (0.40) PTGDR2CDK2CCNA2HTR6LATS1
SCHEMBL2752577 0.74 PDPK1 (0.38) CDK2CCNA2HTR6PDPK1WNT1
SCHEMBL27973935 0.68 HTR6 (0.54) PTGDR2CDK2CCNA2HTR6PDPK1
SCHEMBL1800468 0.67 PTGDR2 (0.37) PTGDR2HTR6LATS1
SCHEMBL2752494 0.67 BRD4 (0.42) HTR6
SCHEMBL1801781 0.67 PTGDR2 (0.39) PTGDR2LATS1PDE4A
SCHEMBL17289609 0.65 PDPK1 (0.40) PTGDR2CDK2CCNA2HTR6PDPK1
SCHEMBL2750991 0.64 PDPK1 (0.39) CDK2CCNA2HTR6PDPK1WNT1
SCHEMBL1802369 0.64 PTGDR2 (0.38) PTGDR2CDK2HTR6LATS1CCNE1

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-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
EP-2109611-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-10-21 EP disclosed
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE 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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 PTGDR2 2346/4885CDK2 604/4885CCNA2 1743/4885

“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.