SCHEMBL20159274

SCHEMBL20159274

CC(C)n1nc(Br)nc1Oc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
F2RL3 Q96RI0 1/20 0.35
TRPV3 Q8NET8 2/20 0.34
PLA2G7 Q13093 4/20 0.34
KDR P35968 1/20 0.33
AR P10275 2/20 0.32
MGLL Q99685 1/20 0.32
MPL P40238 2/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31

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
SCHEMBL20142944 0.88 AR (0.33) ARMGLLPSEN1PSEN2APH1B
SCHEMBL20159329 0.87 PLA2G7 (0.40) PLA2G7
SCHEMBL29623386 0.87 PLA2G7 (0.40) PLA2G7
SCHEMBL20142954 0.86 MAP4K4 (0.35) HTR2ASLC6A4KDRPSEN1PSEN2
SCHEMBL20138679 0.86 AR (0.32) HTR2AARMGLL
SCHEMBL20159299 0.85 HTR2A (0.37) HTR2ASLC6A4KCNH2F2RL3TRPV3
SCHEMBL20139790 0.84 HTR2A (0.39) HTR2ASLC6A4KCNH2F2RL3PLA2G7
SCHEMBL20138797 0.82 KDR (0.39) HTR2ASLC6A4KCNH2KDRPSEN1
SCHEMBL20138676 0.82 ESR1 (0.30)
SCHEMBL20159583 0.81 PDE2A (0.37)

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

“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.