SCHEMBL24034799

SCHEMBL24034799

CCOc1ncc(-c2cnn(Cc3c(-c4ccc(Cl)cc4F)nnn3C)c(=O)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.34
MCHR1 Q99705 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GRIN2B Q13224 4/20 0.33
HDAC6 Q9UBN7 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRIN1 Q05586 3/20 0.31
KCNH2 Q12809 1/20 0.30
CTSA P10619 1/20 0.30
PDE2A O00408 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
SCHEMBL30111769 1.00 GRM2 (0.34) GRM2MCHR1SIGMAR1GRIN2BHDAC6
SCHEMBL30111738 0.93 GRM2 (0.35) GRM2MCHR1SIGMAR1GRIN2BHDAC6
SCHEMBL24034873 0.93 GRM2 (0.35) GRM2MCHR1SIGMAR1GRIN2BHDAC6
SCHEMBL30111754 0.88 GRM2 (0.37) GRM2MCHR1SIGMAR1GRIN2BHDAC6
SCHEMBL26098995 0.88 GRM2 (0.37) GRM2MCHR1SIGMAR1GRIN2BHDAC6
SCHEMBL30111748 0.87 GRM2 (0.36) GRM2MCHR1SIGMAR1GRIN2BGRIN1
SCHEMBL24034906 0.87 GRM2 (0.36) GRM2MCHR1SIGMAR1GRIN2BGRIN1
SCHEMBL24034800 0.84 EPHB4 (0.38) GRM2MCHR1SIGMAR1GRIN2BGRIN1
SCHEMBL30111760 0.84 EPHB4 (0.38) GRM2MCHR1SIGMAR1GRIN2BGRIN1
SCHEMBL24034607 0.83 GRM2 (0.35) GRM2MCHR1SIGMAR1GRIN2BHDAC6

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 64/4885MCHR1 452/4885SIGMAR1 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.