SCHEMBL20138698

SCHEMBL20138698

Fc1ccc(Oc2nc(Br)nn2C2CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.36
MAPK14 Q16539 1/20 0.35
ALK Q9UM73 1/20 0.33
SOS1 Q07889 1/20 0.33
MAP4K4 O95819 1/20 0.32
BTK Q06187 2/20 0.32
PDE9A O76083 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
TRPA1 O75762 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20142972 0.84 SOS1 (0.39) SOS1BTK
SCHEMBL20142936 0.78 SOS1 (0.39) SOS1BTKPDE9A
SCHEMBL20138700 0.75 ALK (0.39) ADORA1MAPK14ALKSOS1MAP4K4
SCHEMBL20138707 0.74 BTK (0.36) BTK
SCHEMBL20139693 0.72 KCNJ6 (0.35) ADORA1SOS1MAP4K4TRPA1POLB
SCHEMBL20138791 0.66 KDR (0.41) SOS1
SCHEMBL22090357 0.64 PSEN1 (0.38) PDE9A
SCHEMBL20139790 0.64 HTR2A (0.39)
SCHEMBL20142941 0.63 HTR2A (0.37) SOS1
SCHEMBL23902547 0.63 SOS1 (0.37) SOS1

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 ADORA1 1104/4885MAPK14 4406/4885ALK 1736/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 ADORA1 1206/4885MAPK14 4177/4885ALK 1255/4885

“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.