SCHEMBL5023264

SCHEMBL5023264

OCc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 3/20 0.46
NOTUM Q6P988 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
DHODH Q02127 1/20 0.40
MAPK1 P28482 1/20 0.39
MAP2K4 P45985 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPK6 Q16659 1/20 0.39
KIF11 P52732 2/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL5022735 0.84 TNIK (0.43) TNIKNOTUMCCNB2CDK1CCNB1
SCHEMBL3333875 0.80 NR1H4 (0.46) TNIKKDR
SCHEMBL23488144 0.78 MKNK1 (0.56) TNIKNOTUMALDH1A1KMT2AKDM4E
SCHEMBL14644365 0.78 RAB9A (0.55) TNIKNOTUMALDH1A1KMT2AKDR
SCHEMBL13024368 0.76 TNIK (0.47) TNIKNOTUMCCNB2CDK1CCNB1
SCHEMBL7847701 0.76 SRD5A2 (0.56) KMT2AMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL3055345 0.75 TNIK (0.52) TNIKNOTUMCCNB2CDK1CCNB1
SCHEMBL27217312 0.75 CCNB2 (0.47) TNIKNOTUMCCNB2CDK1CCNB1
SCHEMBL1854144 0.75 ALDH1A1 (0.70) TNIKNOTUMCCNB2CDK1CCNB1
SCHEMBL69008 0.73 MEN1 (0.50) TNIKNOTUMTP53KMT2AMAPK1

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 TNIK 2212/4885NOTUM 1118/4885CCNB2 2341/4885

“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.