SCHEMBL20139044

SCHEMBL20139044

Cn1nc(Br)nc1Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.40
TRPC1 P48995 1/20 0.38
TRPC4 Q9UBN4 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
PPARG P37231 1/20 0.38
KCNH2 Q12809 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
DYRK1A Q13627 2/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ERBB3 P21860 1/20 0.36
ERBB4 Q15303 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL20140248 0.83 F10 (0.38) F10TRPC1TRPC4TRPC5PPARG
SCHEMBL20138711 0.82 KDM4E (0.39) F10PPARGSMN1; SMN2
SCHEMBL20139145 0.81 PPARG (0.36) F10TRPC1TRPC4TRPC5PPARG
SCHEMBL29716136 0.81 SCN9A (0.36)
SCHEMBL20138688 0.79 CYP1A2 (0.47) SMN1; SMN2EGFRCYP2D6CYP2C9
SCHEMBL20139790 0.75 HTR2A (0.39) KCNH2SMN1; SMN2
SCHEMBL20138791 0.71 KDR (0.41) PPARGKCNH2SMN1; SMN2EGFR
SCHEMBL3147185 0.70 GPR3 (0.50) PIM1
SCHEMBL8509396 0.70 F10 (0.47) F10GRM5L3MBTL1
SCHEMBL3789597 0.69 HSD11B1 (0.40) CYP2D6CYP2C9

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 1528/4885TRPC1 1801/4885TRPC4 2765/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 F10 2673/4885TRPC1 1772/4885TRPC4 2588/4885

“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.