SCHEMBL20142946

SCHEMBL20142946

CC1(Cn2nc(Br)nc2Oc2ccc(F)c(Cl)c2)COC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
KCNH2 Q12809 3/20 0.33
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
KDR P35968 1/20 0.33
EGFR P00533 2/20 0.33
GRM2 Q14416 1/20 0.33
IDH1 O75874 1/20 0.32
DGAT1 O75907 1/20 0.32
SOS1 Q07889 1/20 0.32
AXL P30530 1/20 0.32
CACNA1H O95180 2/20 0.31
KMT2A Q03164 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31

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
SCHEMBL20159313 0.84 EPAS1 (0.33) KCNH2
SCHEMBL20142969 0.81 BRD9 (0.41) KCNH2HTR2ASLC6A4KDREGFR
SCHEMBL20143001 0.79 HTR2A (0.38) KCNH2HTR2ASLC6A4KDREGFR
SCHEMBL20142941 0.78 HTR2A (0.37) KCNH2HTR2ASLC6A4KDREGFR
SCHEMBL20138713 0.78 SOS1 (0.41) TGFBR1TGFBR2KCNH2HTR2ASLC6A4
SCHEMBL20138686 0.78 SOS1 (0.36) TGFBR1KCNH2HTR2ASLC6A4KDR
SCHEMBL20142958 0.78 EGFR (0.38) KCNH2HTR2ASLC6A4KDREGFR
SCHEMBL20142980 0.77 HTR2A (0.36) KCNH2HTR2ASLC6A4KDREGFR
SCHEMBL20154256 0.77 SOS1 (0.36) KCNH2HTR2ASLC6A4KDREGFR
SCHEMBL20138701 0.76 SOS1 (0.32) KCNH2HTR2ASLC6A4KDREGFR

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 RAF1 3765/4885MAP2K1 1026/4885TGFBR1 794/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 RAF1 4023/4885MAP2K1 1339/4885TGFBR1 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.