SCHEMBL20138688

SCHEMBL20138688

Cn1nc(Br)nc1Oc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.47
CYP2C19 P33261 8/20 0.47
CYP2C9 P11712 8/20 0.47
CYP3A4 P08684 7/20 0.41
TSHR P16473 5/20 0.41
USP2 O75604 6/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
CYP2D6 P10635 3/20 0.38
RHEB Q15382 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PPP1CA P62136 1/20 0.38
MAPK1 P28482 3/20 0.37

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 0.85 CYP1A2 (0.39) CYP1A2CYP2C19CYP2C9CYP3A4TSHR
SCHEMBL20154249 0.82 CYP1A2 (0.40) CYP1A2CYP2C19CYP2C9CYP3A4TSHR
SCHEMBL20138711 0.82 KDM4E (0.39) ALDH1A1SMN1; SMN2HPGD
SCHEMBL20138690 0.82 PSEN1 (0.51) CYP1A2CYP2C19CYP2C9CYP3A4EGFR
SCHEMBL20138664 0.81 SMN1; SMN2 (0.42) CYP1A2CYP2C19CYP2C9CYP3A4USP2
SCHEMBL20138791 0.80 KDR (0.41) SMN1; SMN2EGFRHTT
SCHEMBL20138702 0.80 CYP1A2 (0.38) CYP1A2CYP2C19CYP2C9CYP3A4TSHR
SCHEMBL20139044 0.79 F10 (0.40) CYP2C9SMN1; SMN2EGFRCYP2D6
SCHEMBL20139332 0.78 EPAS1 (0.40)
SCHEMBL20138714 0.76 AR (0.36) CYP1A2CYP2C19CYP2C9CYP3A4TSHR

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

“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.