SCHEMBL20142958

SCHEMBL20142958

FCCn1nc(Br)nc1Oc1ccc(F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
KDR P35968 1/20 0.38
SOS1 Q07889 6/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
PPARG P37231 2/20 0.34
AXL P30530 1/20 0.33
HIF1A Q16665 1/20 0.33
APP P05067 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
GRM2 Q14416 1/20 0.32
DGAT1 O75907 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
SCHEMBL20143001 0.89 HTR2A (0.38) EGFRKDRSOS1HTR2ASLC6A4
SCHEMBL20138713 0.88 SOS1 (0.41) EGFRKDRSOS1HTR2ASLC6A4
SCHEMBL20142969 0.86 BRD9 (0.41) EGFRKDRSOS1HTR2ASLC6A4
SCHEMBL20138686 0.85 SOS1 (0.36) EGFRKDRSOS1HTR2ASLC6A4
SCHEMBL20154256 0.84 SOS1 (0.36) EGFRKDRSOS1HTR2ASLC6A4
SCHEMBL20138702 0.84 CYP1A2 (0.38) EGFRSLC6A4KCNH2
SCHEMBL20142941 0.83 HTR2A (0.37) EGFRKDRSOS1HTR2ASLC6A4
SCHEMBL20142980 0.82 HTR2A (0.36) EGFRKDRSOS1HTR2ASLC6A4
SCHEMBL20138791 0.82 KDR (0.41) EGFRKDRSOS1HTR2ASLC6A4
SCHEMBL20138687 0.81 EPAS1 (0.39)

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 EGFR 2978/4885KDR 1133/4885SOS1 799/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 EGFR 2744/4885KDR 1130/4885SOS1 839/4885

“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.