SCHEMBL20139693

SCHEMBL20139693

Fc1ccc(Oc2nc(Br)nn2CC(F)(F)F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 2/20 0.35
KCNJ5 P48544 2/20 0.35
KCNJ3 P48549 2/20 0.35
DGAT1 O75907 1/20 0.33
SOS1 Q07889 1/20 0.32
MAP4K4 O95819 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADORA1 P30542 1/20 0.31
PPARG P37231 2/20 0.30
TRPA1 O75762 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20154256 0.89 SOS1 (0.36) DGAT1SOS1HTR2ASLC6A4PPARG
SCHEMBL20142981 0.89 KCNH2 (0.37) DGAT1HTR2ASLC6A4
SCHEMBL20139329 0.83 KDM4E (0.36) MAP4K4SLC6A4
SCHEMBL20142999 0.82 DGAT1 (0.30) DGAT1
SCHEMBL20138714 0.82 AR (0.36) MAP4K4HTR2ASLC6A4
SCHEMBL20143008 0.81 NPBWR1 (0.36) SLC6A4
SCHEMBL20138802 0.80 EPAS1 (0.41)
SCHEMBL20139145 0.80 PPARG (0.36) SLC6A4PPARG
SCHEMBL20138673 0.77 NCOA1 (0.33) SLC6A4L3MBTL1
SCHEMBL20142969 0.73 BRD9 (0.41) DGAT1SOS1HTR2ASLC6A4PPARG

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 KCNJ6 2597/4885KCNJ5 2395/4885KCNJ3 2116/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 KCNJ6 3026/4885KCNJ5 2720/4885KCNJ3 2504/4885

“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.