SCHEMBL21069019

SCHEMBL21069019

CC(C)c1ccc(OCC(F)(F)F)n2nc(Br)nc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 3/20 0.32
CYP17A1 P05093 2/20 0.32
CYP2C9 P11712 2/20 0.32
MAPK14 Q16539 1/20 0.31
RXRA P19793 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
ADORA2A P29274 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL21069120 0.83 PTGS1 (0.34) KDM4EALDH1A1L3MBTL1MAPK14ADORA2A
SCHEMBL21069018 0.81 KDM4E (0.32) KDM4EALDH1A1L3MBTL1
SCHEMBL21069016 0.81 KDM4E (0.32) KDM4EALDH1A1L3MBTL1
SCHEMBL21068933 0.79 KDM4E (0.33) KDM4EALDH1A1L3MBTL1MAPK14ADORA2A
SCHEMBL21069140 0.71 MAPK14 (0.41) L3MBTL1MAPK14MEN1CYP1A2KMT2A
SCHEMBL18952864 0.69 PSEN1 (0.40) HRH4PTGS1PTGS2
SCHEMBL18952680 0.68 PSEN1 (0.45) KDM4EALDH1A1L3MBTL1CYP2C9MEN1
SCHEMBL21069051 0.68 KDM4E (0.32) KDM4EALDH1A1L3MBTL1
SCHEMBL21069050 0.68 KDM4E (0.32) KDM4EALDH1A1L3MBTL1
SCHEMBL21069011 0.67 HSP90AB1 (0.34) KDM4EALDH1A1L3MBTL1MAPK14MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311878-B Triazolopyridines as gamma-secretase modulators 豪夫迈·罗氏有限公司 2022-05-24 CN disclosed
EP-3475279-B1 TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS HOFFMANN LA ROCHE (CH) 2021-07-14 EP disclosed
EP-3475279-B1 TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS HOFFMANN LA ROCHE (CH) 2021-07-14 EP disclosed
US-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 US disclosed
US-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 US disclosed
US-20190194183-A1 TRIAZOLOPYRIDINES HOFFMANN-LA ROCHE INC. (US) 2019-06-27 US disclosed
US-20190194183-A1 TRIAZOLOPYRIDINES HOFFMANN-LA ROCHE INC. (US) 2019-06-27 US 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-20190194183-A1 TRIAZOLOPYRIDINES HTR2A, APP, PTGDR KDM4E 4387/4885ALDH1A1 3356/4885L3MBTL1 966/4885
US-10875854-B2 Triazolopyridines HTR2A, APP, PTGDR KDM4E 4387/4885ALDH1A1 3356/4885L3MBTL1 966/4885

“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.