SCHEMBL24034801

SCHEMBL24034801

COc1ccc(-c2cnn(Cc3c(-c4ccc(Cl)cc4F)nnn3C)c(=O)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
TOP2A P11388 1/20 0.37
NPBWR1 P48145 4/20 0.36
MCHR1 Q99705 2/20 0.35
GRM2 Q14416 2/20 0.35
POLB P06746 1/20 0.35
NLRP3 Q96P20 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL24034800 0.90 EPHB4 (0.38) MCHR1GRM2GRIN1GRIN2BSIGMAR1
SCHEMBL30111760 0.90 EPHB4 (0.38) MCHR1GRM2GRIN1GRIN2BSIGMAR1
SCHEMBL30111725 0.87 GRM2 (0.35) MCHR1GRM2GRIN1GRIN2BSIGMAR1
SCHEMBL24034607 0.87 GRM2 (0.35) MCHR1GRM2GRIN1GRIN2BSIGMAR1
SCHEMBL30111748 0.87 GRM2 (0.36) MCHR1GRM2GRIN1GRIN2BSIGMAR1
SCHEMBL26097978 0.87 GRM2 (0.37) MCHR1GRM2GRIN1GRIN2BSIGMAR1
SCHEMBL24034906 0.87 GRM2 (0.36) MCHR1GRM2GRIN1GRIN2BSIGMAR1
SCHEMBL24034797 0.86 RIPK3 (0.39) MCHR1GRM2SIGMAR1
SCHEMBL30111738 0.86 GRM2 (0.35) MCHR1GRM2GRIN1GRIN2BSIGMAR1
SCHEMBL24034873 0.86 GRM2 (0.35) MCHR1GRM2GRIN1GRIN2BSIGMAR1

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 IDO1 2454/4885TDO2 2969/4885TOP2A 2222/4885

“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.