SCHEMBL20159244

SCHEMBL20159244

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.36
CYP2C9 P11712 8/20 0.36
CYP2C19 P33261 6/20 0.36
CYP3A4 P08684 6/20 0.35
TSHR P16473 4/20 0.35
USP2 O75604 2/20 0.35
CYP2D6 P10635 2/20 0.35
F10 P00742 1/20 0.34
SLC6A4 P31645 3/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HIF1A Q16665 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL20138686 0.85 SOS1 (0.36) SLC6A4HTR2AKCNH2
SCHEMBL20142985 0.84 EPAS1 (0.41)
SCHEMBL20138702 0.84 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL20138696 0.83 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL20138714 0.82 AR (0.36) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL20154249 0.81 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL20139144 0.79 DGAT1 (0.31)
SCHEMBL20138688 0.76 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL20142941 0.76 HTR2A (0.37) SLC6A4HTR2AKCNH2
SCHEMBL20138690 0.75 PSEN1 (0.51) CYP1A2CYP2C9CYP2C19CYP3A4PSEN1

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 8 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
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 CYP1A2 2344/4885CYP2C9 3829/4885CYP2C19 3576/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 CYP1A2 2305/4885CYP2C9 3561/4885CYP2C19 3156/4885

“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.