SCHEMBL20159293

SCHEMBL20159293

FC(F)(F)Cn1nc(Br)nc1Oc1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
BLM P54132 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE5A O76074 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
AR P10275 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
CNR1 P21554 2/20 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
SCHEMBL20159986 0.89 EGFR (0.33) CYP3A4CYP2C9KCNH2MAPK14
SCHEMBL20138673 0.85 NCOA1 (0.33) KMT2AALDH1A1HTTPDE5ASLC6A2
SCHEMBL20139202 0.83 ALDH1A1 (0.35) KMT2AALDH1A1HTTCYP1A2CYP3A4
SCHEMBL20138854 0.82 KDM4E (0.38) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL20138857 0.82 HTT (0.35) KMT2AALDH1A1HTTCYP1A2CYP3A4
SCHEMBL20138709 0.80 ALDH1A1 (0.38) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL20138853 0.79 HTT (0.42) KMT2AALDH1A1HTTCYP1A2CYP3A4
SCHEMBL20154256 0.76 SOS1 (0.36) SLC6A4KCNH2
SCHEMBL6916024 0.75 KMT2A (0.41) KMT2AALDH1A1HTTCYP1A2CYP3A4
SCHEMBL20143008 0.73 NPBWR1 (0.36) SLC6A4LMNAKCNH2SCN5ASCN9A

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 8 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
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 KMT2A 637/4885ALDH1A1 2350/4885HTT 1/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 KMT2A 792/4885ALDH1A1 2864/4885HTT 1/4885

“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.