SCHEMBL20142936

SCHEMBL20142936

Fc1ccc(Oc2nc(Br)nn2C2COC2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 6/20 0.39
EGFR P00533 2/20 0.35
IDH1 O75874 1/20 0.34
KDR P35968 2/20 0.34
APP P05067 1/20 0.33
BTK Q06187 1/20 0.33
AXL P30530 1/20 0.32
PDE9A O76083 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 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
SCHEMBL20142979 0.91 PDE9A (0.37) SOS1EGFRIDH1KDRBTK
SCHEMBL20142972 0.87 SOS1 (0.39) SOS1EGFRKDRAPPBTK
SCHEMBL20154264 0.82 EPAS1 (0.34)
SCHEMBL20138698 0.78 ADORA1 (0.36) SOS1BTKPDE9A
SCHEMBL20138791 0.76 KDR (0.41) SOS1EGFRKDRAPPAXL
SCHEMBL20138681 0.74 EPAS1 (0.34) EGFRKDRBTK
SCHEMBL20138701 0.73 SOS1 (0.32) SOS1EGFRKDRAXLHTR2A
SCHEMBL23902547 0.73 SOS1 (0.37) SOS1EGFRKDRAPPAXL
SCHEMBL20138675 0.73 KDR (0.39) SOS1EGFRKDRAPPAXL
SCHEMBL20138797 0.73 KDR (0.39) SOS1EGFRIDH1KDRAPP

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 SOS1 799/4885EGFR 2978/4885IDH1 1471/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 SOS1 839/4885EGFR 2744/4885IDH1 1832/4885

“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.