SCHEMBL20138671

SCHEMBL20138671

COCCn1nc(Br)nc1Oc1cc(F)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 17/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PPARG P37231 1/20 0.32
VEGFA P15692 3/20 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
SCHEMBL20143018 0.89 EPAS1 (0.37) EPAS1PPARGVEGFA
SCHEMBL20138849 0.88 EPAS1 (0.38) EPAS1VEGFA
SCHEMBL20138687 0.88 EPAS1 (0.39) EPAS1VEGFA
SCHEMBL20138689 0.86 EPAS1 (0.38) EPAS1VEGFA
SCHEMBL20138716 0.84 EPAS1 (0.39) EPAS1VEGFA
SCHEMBL20138674 0.83 EPAS1 (0.37) EPAS1VEGFA
SCHEMBL20142985 0.82 EPAS1 (0.41) EPAS1VEGFA
SCHEMBL20154257 0.82 EPAS1 (0.37) EPAS1VEGFA
SCHEMBL20138713 0.82 SOS1 (0.41) PPARG
SCHEMBL20139332 0.82 EPAS1 (0.40) EPAS1VEGFA

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 684/4885ALDH1A1 2350/4885CYP1A2 2344/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 EPAS1 888/4885ALDH1A1 2864/4885CYP1A2 2305/4885

“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.