SCHEMBL24034873

SCHEMBL24034873

COc1ncc(-c2cnn(Cc3c(-c4ccc(Cl)cc4F)nnn3C)c(=O)c2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.35
HDAC6 Q9UBN7 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PIK3CD O00329 1/20 0.33
MCHR1 Q99705 1/20 0.33
CTSA P10619 1/20 0.32
GRIN2B Q13224 4/20 0.31
CYP2C9 P11712 1/20 0.31
GRIN1 Q05586 2/20 0.31
SCN9A Q15858 1/20 0.31
P2RX7 Q99572 1/20 0.31
BRD4 O60885 2/20 0.31
BRD3 Q15059 2/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL30111738 1.00 GRM2 (0.35) GRM2HDAC6SIGMAR1PIK3CDMCHR1
SCHEMBL24034799 0.93 GRM2 (0.34) GRM2HDAC6SIGMAR1MCHR1CTSA
SCHEMBL30111769 0.93 GRM2 (0.34) GRM2HDAC6SIGMAR1MCHR1CTSA
SCHEMBL30111748 0.92 GRM2 (0.36) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL24034906 0.92 GRM2 (0.36) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL24034800 0.88 EPHB4 (0.38) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL30111760 0.88 EPHB4 (0.38) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL24034607 0.87 GRM2 (0.35) GRM2HDAC6SIGMAR1MCHR1CTSA
SCHEMBL30111725 0.87 GRM2 (0.35) GRM2HDAC6SIGMAR1MCHR1CTSA
SCHEMBL24034801 0.86 IDO1 (0.37) GRM2SIGMAR1MCHR1GRIN2BGRIN1

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 8 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
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
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 64/4885HDAC6 845/4885SIGMAR1 145/4885

“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.