SCHEMBL20142981

SCHEMBL20142981

Fc1ccc(Oc2nc(Br)nn2CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
PLA2G7 Q13093 6/20 0.36
F2RL3 Q96RI0 1/20 0.33
MPL P40238 2/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
RXRA P19793 2/20 0.32
DGAT1 O75907 1/20 0.31
AR P10275 2/20 0.30
CDK8 P49336 1/20 0.30
KDR P35968 1/20 0.30
MGLL Q99685 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 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
SCHEMBL20139693 0.89 KCNJ6 (0.35) HTR2ASLC6A4DGAT1
SCHEMBL20154256 0.85 SOS1 (0.36) KCNH2HTR2ASLC6A4DGAT1KDR
SCHEMBL20139790 0.81 HTR2A (0.39) KCNH2HTR2ASLC6A4PLA2G7F2RL3
SCHEMBL20143008 0.81 NPBWR1 (0.36) KCNH2SLC6A4
SCHEMBL20139329 0.80 KDM4E (0.36) SLC6A4
SCHEMBL20142999 0.79 DGAT1 (0.30) DGAT1
SCHEMBL20138714 0.79 AR (0.36) KCNH2HTR2ASLC6A4AR
SCHEMBL20159274 0.78 HTR2A (0.37) KCNH2HTR2ASLC6A4PLA2G7F2RL3
SCHEMBL20138802 0.77 EPAS1 (0.41)
SCHEMBL20139145 0.77 PPARG (0.36) KCNH2SLC6A4GRIN1GRIN2BRXRA

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 KCNH2 1632/4885HTR2A 6/4885SLC6A4 1349/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 KCNH2 1907/4885HTR2A 8/4885SLC6A4 1622/4885

“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.