SCHEMBL20138702

SCHEMBL20138702

FCCn1nc(Br)nc1Oc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
RHEB Q15382 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.35
EGFR P00533 1/20 0.35
LCK P06239 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH2 Q12809 1/20 0.34
TRPC4 Q9UBN4 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL20154249 0.87 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19RHEBSMN1; SMN2
SCHEMBL20138696 0.84 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19RHEBHTT
SCHEMBL20138714 0.84 AR (0.36) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL20142958 0.84 EGFR (0.38) EGFRKCNH2SLC6A4
SCHEMBL20159244 0.84 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL20138687 0.82 EPAS1 (0.39)
SCHEMBL20138688 0.80 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19RHEBSMN1; SMN2
SCHEMBL20138690 0.74 PSEN1 (0.51) CYP1A2CYP2C9CYP2C19CYP3A4EGFR
SCHEMBL20159678 0.73 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19RHEBSMN1; SMN2
SCHEMBL20143001 0.72 HTR2A (0.38) LMNAMAPTEGFRKCNH2NPC1

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 CYP1A2 2344/4885CYP2C9 3829/4885CYP2C19 3576/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 CYP1A2 2305/4885CYP2C9 3561/4885CYP2C19 3156/4885

“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.