SCHEMBL20138717

SCHEMBL20138717

CC(C)n1nc(Br)nc1Oc1cc(Cl)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.36
HTR2A P28223 3/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
SCN9A Q15858 3/20 0.34
FPR2 P25090 2/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 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
SCHEMBL20142968 0.84 HTR1A (0.38) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL20142975 0.82 MAPT (0.39) HTT
SCHEMBL20138658 0.81 HTR1A (0.32) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL20138797 0.81 KDR (0.39) HTR2AEGFRKDRHTTPSEN1
SCHEMBL20142991 0.79 MAPT (0.37) HTR2ASCN9AHTTPSEN1PSEN2
SCHEMBL20142954 0.78 MAP4K4 (0.35) HTR2APIK3CDABL1EGFRHCK
SCHEMBL20138712 0.78 HTR1A (0.36) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL20138666 0.77 TRPA1 (0.35) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL20138690 0.77 PSEN1 (0.51) SCN9AEGFRPSEN1PSEN2APH1B
SCHEMBL6914242 0.77 HTT (0.39) HTR2AHTR1ADRD2HTR7HTR6

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 EPAS1 684/4885HTR2A 6/4885HTR1A 13/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 EPAS1 888/4885HTR2A 8/4885HTR1A 12/4885

“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.