SCHEMBL24034722

SCHEMBL24034722

C[C@@H]1CN(c2cnn(Cc3c(-c4ccc(F)cc4F)nnn3C)c(=O)c2)C[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPK14 Q16539 5/20 0.32
SIGMAR1 Q99720 2/20 0.32
TMEM97 Q5BJF2 1/20 0.31
PDE1B Q01064 1/20 0.31
WDR5 P61964 1/20 0.31
MET P08581 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MGLL Q99685 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 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
SCHEMBL26095291 0.91 KMT2A (0.34) GRM2ALDH1A1MAOAMAOBMAPK14
SCHEMBL24034795 0.91 KMT2A (0.34) GRM2ALDH1A1MAOAMAOBMAPK14
SCHEMBL24034846 0.82 FFAR2 (0.34) GRM2SIGMAR1WDR5METL3MBTL1
SCHEMBL24034844 0.82 FFAR2 (0.34) GRM2SIGMAR1WDR5METL3MBTL1
SCHEMBL26097710 0.81 AOC3 (0.35) HTR2AALDH1A1PDE1BMETL3MBTL1
SCHEMBL30111790 0.81 AOC3 (0.35) HTR2AALDH1A1PDE1BMETL3MBTL1
SCHEMBL24034765 0.81 AOC3 (0.35) HTR2AALDH1A1PDE1BMETL3MBTL1
SCHEMBL24034602 0.81 AOC3 (0.35) HTR2AALDH1A1PDE1BMETL3MBTL1
SCHEMBL24034886 0.81 KMT2A (0.38) GRM2ALDH1A1PDE1BMETL3MBTL1
SCHEMBL24034784 0.81 KMT2A (0.34) ALDH1A1PDE1BMETL3MBTL1MAPK1

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
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP claimed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP claimed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN claimed
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP disclosed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed
WO-2021228795-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-11-18 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 (1 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-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRA3, GABRB3 GRM2 64/4885HTR2A 527/4885ALDH1A1 1095/4885

“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.