SCHEMBL20154249

SCHEMBL20154249

CCCn1nc(Br)nc1Oc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.40
CYP2C9 P11712 6/20 0.40
CYP2C19 P33261 6/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
RHEB Q15382 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
KCNH2 Q12809 2/20 0.36
TRPC4 Q9UBN4 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL20138696 0.90 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL20138702 0.87 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL20159678 0.86 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL20138688 0.82 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL20143018 0.81 EPAS1 (0.37)
SCHEMBL20159244 0.81 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL20138714 0.81 AR (0.36) CYP1A2CYP2C9CYP2C19KMT2ATSHR
SCHEMBL20138709 0.76 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL20138690 0.76 PSEN1 (0.51) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL20138713 0.72 SOS1 (0.41) KCNH2SLC6A4HTR2AEGFRHIF1A

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.