SCHEMBL20138666

SCHEMBL20138666

CC(C)n1nc(Br)nc1Oc1cccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ABL1 P00519 4/20 0.35
EGFR P00533 4/20 0.35
HCK P08631 4/20 0.35
SRC P12931 4/20 0.35
KDR P35968 4/20 0.35
PIK3CB P42338 4/20 0.35
MTOR P42345 4/20 0.35
PIK3CG P48736 4/20 0.35
EPHB4 P54760 4/20 0.35
PRKDC P78527 4/20 0.35
PI4KB Q9UBF8 4/20 0.35
PIK3CD O00329 3/20 0.35
PIK3CA P42336 3/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
HTR1A P08908 3/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34

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 0.89 MAPT (0.39) PDE1APDE1BPDE1CMAPT
SCHEMBL20138658 0.87 HTR1A (0.32) PDE1APDE1BPDE1CHTR1ADRD2
SCHEMBL20138697 0.85 ESR1 (0.36) PDE1APDE1BPDE1C
SCHEMBL6914242 0.78 HTT (0.39) PDE1APDE1BPDE1CHTR1ADRD2
SCHEMBL20159252 0.77 EPAS1 (0.37) PDE1APDE1BPDE1C
SCHEMBL20159209 0.77 HSD11B1 (0.35) TRPA1PDE1APDE1BPDE1C
SCHEMBL23492724 0.74 MAPT (0.34) HTR1ASLC6A2MAPTSLC6A3
SCHEMBL20142954 0.74 MAP4K4 (0.35) TRPA1ABL1EGFRHCKSRC
SCHEMBL20142967 0.74 TRPA1 (0.32) TRPA1
SCHEMBL23504803 0.72 MAPT (0.39) PDE1APDE1BPDE1CHTR1ASLC6A2

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 TRPA1 3046/4885ABL1 2020/4885EGFR 2978/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 TRPA1 2949/4885ABL1 1996/4885EGFR 2744/4885

“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.