SCHEMBL20142979

SCHEMBL20142979

Fc1ccc(Oc2nc(Br)nn2C2CCOC2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.37
SOS1 Q07889 4/20 0.35
TGFBR1 P36897 2/20 0.35
TGFBR2 P37173 2/20 0.35
EGFR P00533 6/20 0.34
PIK3CD O00329 4/20 0.34
ABL1 P00519 4/20 0.34
HCK P08631 4/20 0.34
SRC P12931 4/20 0.34
KDR P35968 4/20 0.34
PIK3CA P42336 4/20 0.34
PIK3CB P42338 4/20 0.34
MTOR P42345 4/20 0.34
PIK3CG P48736 4/20 0.34
EPHB4 P54760 4/20 0.34
PRKDC P78527 4/20 0.34
PI4KB Q9UBF8 4/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 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
SCHEMBL20142936 0.91 SOS1 (0.39) PDE9ASOS1EGFRKDRIDH1
SCHEMBL20142972 0.85 SOS1 (0.39) SOS1EGFRKDRBTK
SCHEMBL20138681 0.84 EPAS1 (0.34) EGFRPIK3CDABL1HCKSRC
SCHEMBL20138698 0.77 ADORA1 (0.36) PDE9ASOS1BTK
SCHEMBL20159269 0.74
SCHEMBL20154264 0.74 EPAS1 (0.34)
SCHEMBL20138791 0.73 KDR (0.41) SOS1EGFRKDR
SCHEMBL23492529 0.72 PSEN1 (0.50) PI4KB
SCHEMBL23492532 0.72 PSEN1 (0.50) PI4KB
SCHEMBL23492534 0.72 PSEN1 (0.50) PI4KB

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 PDE9A 2679/4885SOS1 799/4885TGFBR1 794/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 PDE9A 2713/4885SOS1 839/4885TGFBR1 821/4885

“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.