SCHEMBL20159329

SCHEMBL20159329

CC(C)n1nc(Br)nc1Oc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 13/20 0.40
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
RAF1 P04049 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PIK3CA P42336 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 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
SCHEMBL29623386 1.00 PLA2G7 (0.40) PLA2G7PPARGPPARARAF1PTGES
SCHEMBL20142944 0.87 AR (0.33) NR1H2NR1H3
SCHEMBL20159274 0.87 HTR2A (0.37) PLA2G7
SCHEMBL20138679 0.85 AR (0.32)
SCHEMBL20138797 0.81 KDR (0.39) PPARG
SCHEMBL20154260 0.80 LMNA (0.39)
SCHEMBL20138676 0.79 ESR1 (0.30)
SCHEMBL20142994 0.78 MAPT (0.44)
SCHEMBL20142991 0.78 MAPT (0.37) SCN9A
SCHEMBL20142954 0.77 MAP4K4 (0.35) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790149-B Phenoxytriazoles 豪夫迈·罗氏有限公司 2022-05-17 CN disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 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 (2 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-20210309653-A1 PHENOXYTRIAZOLES HTT, PSEN1, APP PLA2G7 511/4885PPARG 2002/4885PPARA 1123/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 PLA2G7 395/4885PPARG 1140/4885PPARA 563/4885

“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.