SCHEMBL20142972

SCHEMBL20142972

Fc1ccc(Oc2nc(Br)nn2C2CCC2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 5/20 0.39
BTK Q06187 1/20 0.38
EGFR P00533 2/20 0.37
PGR P06401 2/20 0.36
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
KDR P35968 2/20 0.34
HRH3 Q9Y5N1 3/20 0.34
SLC6A4 P31645 1/20 0.34
APP P05067 1/20 0.34
GALR2 O43603 1/20 0.33

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 0.87 SOS1 (0.39) SOS1BTKEGFRKDRSLC6A4
SCHEMBL20142979 0.85 PDE9A (0.37) SOS1BTKEGFRKDR
SCHEMBL20138698 0.84 ADORA1 (0.36) SOS1BTK
SCHEMBL20138707 0.82 BTK (0.36) BTK
SCHEMBL20138791 0.77 KDR (0.41) SOS1EGFRKDRSLC6A4APP
SCHEMBL23902547 0.74 SOS1 (0.37) SOS1EGFRKDRSLC6A4APP
SCHEMBL20138675 0.74 KDR (0.39) SOS1EGFRKDRSLC6A4APP
SCHEMBL20142969 0.74 BRD9 (0.41) SOS1EGFRKDRSLC6A4APP
SCHEMBL20138797 0.74 KDR (0.39) SOS1EGFRPGRKDRSLC6A4
SCHEMBL20142958 0.73 EGFR (0.38) SOS1EGFRKDRSLC6A4APP

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 799/4885BTK 4680/4885EGFR 2978/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 SOS1 839/4885BTK 4604/4885EGFR 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.