SCHEMBL20138714

SCHEMBL20138714

FC(F)(F)Cn1nc(Br)nc1Oc1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
PTGS1 P23219 1/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
EPAS1 Q99814 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL20138692 0.90 AR (0.35) ARCYP1A2CYP2C9CYP2C19PTGS1
SCHEMBL20139329 0.86 KDM4E (0.36) USP2KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL20139145 0.85 PPARG (0.36) CYP2C9SCN9ACYP2D6SLC6A4SLC6A2
SCHEMBL20154256 0.84 SOS1 (0.36) SLC6A4HTR2AKCNH2EGFR
SCHEMBL20138702 0.84 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL20138696 0.83 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL20138802 0.82 EPAS1 (0.41) EPAS1
SCHEMBL20159244 0.82 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL20139693 0.82 KCNJ6 (0.35) SLC6A4HTR2AMAP4K4
SCHEMBL20154249 0.81 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19LMNACYP3A4

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 AR 4377/4885CYP1A2 2344/4885CYP2C9 3829/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 AR 4276/4885CYP1A2 2305/4885CYP2C9 3561/4885

“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.