SCHEMBL5023323

SCHEMBL5023323

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1CC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
TLR8 Q9NR97 1/20 0.40
KIF11 P52732 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
RAD51 Q06609 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 2/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL2425009 0.83 MAPT (0.43) SIGMAR1TSHRALDH1A1HPGDHTT
SCHEMBL4685144 0.81 TLR8 (0.42) CTSSCTSKTLR8SIGMAR1RAD51
SCHEMBL5023360 0.81 TLR8 (0.42) CTSSCTSKTLR8KIF11SIGMAR1
SCHEMBL4678016 0.81 TLR8 (0.42) CTSSCTSKTLR8KIF11SIGMAR1
SCHEMBL4415569 0.81 RAD51 (0.42) CTSSCTSKTLR8KIF11SIGMAR1
SCHEMBL5023843 0.79 TLR8 (0.40) CTSSCTSKTLR8SIGMAR1RAD51
SCHEMBL5023343 0.77 TLR8 (0.43) CTSSCTSKTLR8SIGMAR1RAD51
SCHEMBL5023362 0.77 PSEN1 (0.47) ALDH1A1KDM2BKDM4C
SCHEMBL17290824 0.76 PTGS2 (0.44) CTSSCTSKTLR8KIF11SIGMAR1
SCHEMBL4681659 0.74 NPY5R (0.46) TLR8KIF11SIGMAR1RAD51TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG CTSS 4238/4885CTSK 4267/4885TLR8 828/4885

“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.