SCHEMBL20142968

SCHEMBL20142968

CC(C)n1nc(Br)nc1Oc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
TRPV3 Q8NET8 8/20 0.35
PDE2A O00408 3/20 0.33
CHEK2 O96017 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
MAT2A P31153 1/20 0.33
MPL P40238 1/20 0.33
IDO1 P14902 1/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL20142975 0.79 MAPT (0.39)
SCHEMBL20142994 0.79 MAPT (0.44)
SCHEMBL20154263 0.78 F2RL3 (0.32)
SCHEMBL20159274 0.78 HTR2A (0.37) HTR2ATRPV3MPLKDR
SCHEMBL20159667 0.77 SCN9A (0.32)
SCHEMBL20138697 0.76 ESR1 (0.36) CHEK2MPL
SCHEMBL20142978 0.76 PSEN1 (0.34)
SCHEMBL20142954 0.76 MAP4K4 (0.35) HTR2APIK3CDABL1EGFRHCK
SCHEMBL20138666 0.74 TRPA1 (0.35) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL20138708 0.74 LMNA (0.31)

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 HTR1A 13/4885DRD2 106/4885HTR2A 6/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 HTR1A 12/4885DRD2 119/4885HTR2A 8/4885

“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.