SCHEMBL20142944

SCHEMBL20142944

Cc1ccc(Oc2nc(Br)nn2C(C)C)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.33
RHEB Q15382 1/20 0.33
S1PR1 P21453 2/20 0.33
ESR1 P03372 1/20 0.33
MGLL Q99685 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MAPT P10636 1/20 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
CDK8 P49336 1/20 0.31
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31
P2RX3 P56373 1/20 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
SCHEMBL20159274 0.88 HTR2A (0.37) ARMGLLPSEN1PSEN2APH1B
SCHEMBL20159329 0.87 PLA2G7 (0.40) NR1H2NR1H3
SCHEMBL29623386 0.87 PLA2G7 (0.40) NR1H2NR1H3
SCHEMBL20138679 0.86 AR (0.32) ARS1PR1MGLL
SCHEMBL20159971 0.85 AR (0.33) ARRHEBS1PR1ESR1MGLL
SCHEMBL20138676 0.84 ESR1 (0.30) ESR1
SCHEMBL20154260 0.81 LMNA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20142994 0.79 MAPT (0.44) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL20142954 0.78 MAP4K4 (0.35) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL20138669 0.78 HTR2A (0.41)

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 4377/4885RHEB 4150/4885S1PR1 443/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 AR 4276/4885RHEB 3950/4885S1PR1 351/4885

“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.