SCHEMBL20140248

SCHEMBL20140248

CC(C)n1nc(Br)nc1Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
TRPV3 Q8NET8 1/20 0.36
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
P2RX3 P56373 1/20 0.35
ACACB O00763 1/20 0.35
DYRK1A Q13627 2/20 0.35
KCNN4 O15554 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR142 Q7Z601 1/20 0.35
TRPC1 P48995 1/20 0.35
TRPC4 Q9UBN4 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
DHFR P00374 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
SCHEMBL20138669 0.87 HTR2A (0.41) TRPV3KCNH2DHFRHTR2AHTR2C
SCHEMBL20142994 0.85 MAPT (0.44) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL20139044 0.83 F10 (0.40) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL20138672 0.83 PSEN1 (0.37) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL20159583 0.82 PDE2A (0.37)
SCHEMBL20138679 0.82 AR (0.32) HTR2AHTR2CHTR2B
SCHEMBL20138690 0.81 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28738622 0.80 SLC6A2 (0.32)
SCHEMBL28738646 0.79 RPS6KA2 (0.32) SCN9A
SCHEMBL20159967 0.79 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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 F10 1528/4885TRPV3 3527/4885PSEN1 2/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 F10 2673/4885TRPV3 3248/4885PSEN1 3/4885

“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.