SCHEMBL20138669

SCHEMBL20138669

CC(C)n1nc(Br)nc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPBWR1 P48145 2/20 0.37
MCHR1 Q99705 2/20 0.37
F2RL3 Q96RI0 1/20 0.36
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
PDE2A O00408 7/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
LIPE Q05469 1/20 0.34
DHFR P00374 1/20 0.33
ATP1A1 P05023 1/20 0.33

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 0.87 F10 (0.38) HTR2AHTR2CHTR2BKCNH2SCN9A
SCHEMBL20138803 0.84 SCN4A (0.38) HTR2AHTR2CHTR2BL3MBTL1SCN9A
SCHEMBL20138679 0.84 AR (0.32) HTR2AHTR2CHTR2BPDE2A
SCHEMBL20159583 0.84 PDE2A (0.37) PDE2A
SCHEMBL23504771 0.83 HTR2A (0.41) HTR2AHTR2CHTR2BPOLBL3MBTL1
SCHEMBL20142991 0.81 MAPT (0.37) HTR2ANPBWR1MCHR1SCN9A
SCHEMBL28738622 0.80 SLC6A2 (0.32)
SCHEMBL28738646 0.79 RPS6KA2 (0.32) SCN9A
SCHEMBL20159274 0.78 HTR2A (0.37) HTR2AF2RL3KCNH2TRPV3
SCHEMBL20142944 0.78 AR (0.33)

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 HTR2A 6/4885HTR2C 54/4885HTR2B 22/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 HTR2A 8/4885HTR2C 68/4885HTR2B 15/4885

“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.