SCHEMBL24034813

SCHEMBL24034813

Cn1nnc(-c2ccc(C(F)(F)F)cc2F)c1Cn1ncc(N2CC(Oc3cnccn3)C2)cc1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.35
MCHR1 Q99705 1/20 0.35
PDE2A O00408 1/20 0.32
P2RX7 Q99572 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
LIPG Q9Y5X9 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GRM2 Q14416 1/20 0.30
PIK3CD O00329 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
SCHEMBL26098678 0.91 MCHR1 (0.33) MCHR1PDE2ARXRAGRIN1GRIN2B
SCHEMBL24034807 0.90 MCHR1 (0.33) MCHR1PDE2ACYP11B1CYP11B2
SCHEMBL30111757 0.89 MCHR1 (0.33) MCHR1PDE2APIK3CD
SCHEMBL26097818 0.89 MCHR1 (0.33) MCHR1PDE2APIK3CD
SCHEMBL24034805 0.86 MCHR1 (0.34) MCHR1PDE2ALIPGCYP11B1CYP11B2
SCHEMBL24034811 0.86 MCHR1 (0.34) MCHR1PDE2ALIPGCYP11B1CYP11B2
SCHEMBL26097386 0.85 MCHR1 (0.34) MCHR1PDE2ACYP11B1CYP11B2GRM2
SCHEMBL24034690 0.85 MCHR1 (0.36) MCHR1PDE2ACYP11B1CYP11B2GRM2
SCHEMBL26097337 0.85 MCHR1 (0.34) MCHR1PDE2ACYP11B1CYP11B2GRM2
SCHEMBL26097543 0.85 LIPG (0.42) MCHR1PDE2ALIPGGRM2

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 FEN1 2147/4885MCHR1 452/4885PDE2A 323/4885

“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.