SCHEMBL24034809

SCHEMBL24034809

CNc1cnn(Cc2c(-c3ccc(Cl)cc3F)nnn2C)c(=O)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GRM2 Q14416 9/20 0.34
CNR2 P34972 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYP2C9 P11712 1/20 0.33
GRIN2B Q13224 1/20 0.33
P2RX7 Q99572 1/20 0.32
KIT P10721 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
SCHEMBL24034828 0.84 GRIN2B (0.37) SIGMAR1GRM2CNR2MCHR1CYP2C9
SCHEMBL24034797 0.83 RIPK3 (0.39) SIGMAR1GRM2MCHR1
SCHEMBL24034801 0.81 IDO1 (0.37) SIGMAR1GRM2MCHR1GRIN2B
SCHEMBL24034872 0.80 GRM2 (0.40) SIGMAR1GRM2CNR2MCHR1CYP2C9
SCHEMBL24034827 0.80 L3MBTL1 (0.45) PDE2ASIGMAR1GRM2MCHR1
SCHEMBL24034800 0.79 EPHB4 (0.38) SIGMAR1GRM2MCHR1GRIN2B
SCHEMBL30111760 0.79 EPHB4 (0.38) SIGMAR1GRM2MCHR1GRIN2B
SCHEMBL24034605 0.79 KCNH2 (0.35) SIGMAR1GRM2MCHR1GRIN2B
SCHEMBL24034607 0.78 GRM2 (0.35) SIGMAR1GRM2MCHR1CYP2C9GRIN2B
SCHEMBL24034795 0.78 KMT2A (0.34) PDE2ASIGMAR1GRM2CNR2MCHR1

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 9 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
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 PDE2A 323/4885SIGMAR1 145/4885GRM2 64/4885

“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.