SCHEMBL20142991

SCHEMBL20142991

CC(C)n1nc(Br)nc1Oc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LTA4H P09960 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
SCN9A Q15858 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL20138797 0.84 KDR (0.39) MAPTHTTPSEN1PSEN2APH1B
SCHEMBL20138690 0.83 PSEN1 (0.51) MEN1KMT2ACYP2C9PSEN1PSEN2
SCHEMBL20154260 0.82 LMNA (0.39) HTTALDH1A1PSEN1PSEN2APH1B
SCHEMBL20142954 0.81 MAP4K4 (0.35) MAPTHTTALDH1A1PSEN1PSEN2
SCHEMBL20138669 0.81 HTR2A (0.41) NPBWR1MCHR1SCN9AHTR2A
SCHEMBL20138811 0.80 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29623268 0.79 EPAS1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20142992 0.79 EPAS1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20138717 0.79 EPAS1 (0.36) HTTPSEN1PSEN2APH1BNCSTN
SCHEMBL29623386 0.78 PLA2G7 (0.40) SCN9A

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 MAPT 93/4885HPGD 438/4885HTT 1/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 MAPT 84/4885HPGD 355/4885HTT 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.