SCHEMBL20142992

SCHEMBL20142992

CC(C)n1nc(Br)nc1Oc1cc(F)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 16/20 0.39
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
VEGFA P15692 2/20 0.34

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
SCHEMBL29623268 1.00 EPAS1 (0.39) EPAS1PSEN1PSEN2APH1BNCSTN
SCHEMBL20138912 0.91 EPAS1 (0.37) EPAS1VEGFA
SCHEMBL20138683 0.90
SCHEMBL20138811 0.85 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20138719 0.85 EPAS1 (0.37) EPAS1VEGFA
SCHEMBL20142978 0.84 PSEN1 (0.34) EPAS1PSEN1PSEN2APH1BNCSTN
SCHEMBL23902385 0.84 EPAS1 (0.38) EPAS1VEGFA
SCHEMBL20139332 0.82 EPAS1 (0.40) EPAS1VEGFA
SCHEMBL20159667 0.82 SCN9A (0.32)
SCHEMBL29623411 0.82 SCN9A (0.32)

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 10 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
EP-3538516-A1 PHENOXYTRIAZOLES F. Hoffmann-La Roche AG (CH) 2019-09-18 EP disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO 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 EPAS1 684/4885PSEN1 2/4885PSEN2 7/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 EPAS1 888/4885PSEN1 3/4885PSEN2 11/4885

“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.