SCHEMBL24034898

SCHEMBL24034898

Cn1nnc(-c2ccc(Cl)cc2F)c1Cn1ncc(N2CCN(C3CC3)CC2)cc1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
MCHR1 Q99705 1/20 0.35
EPHX2 P34913 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE1B Q01064 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
ACVR1 Q04771 2/20 0.32
PDE2A O00408 1/20 0.31
PDE4A P27815 1/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM2 Q14416 3/20 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
SCHEMBL26097551 0.88 LMNA (0.37) EPHX2KMT2A
SCHEMBL24034827 0.87 L3MBTL1 (0.45) SIGMAR1MCHR1EPHX2PDE2AL3MBTL1
SCHEMBL24034795 0.84 KMT2A (0.34) SIGMAR1MCHR1EPHX2KMT2APDE1B
SCHEMBL26095291 0.84 KMT2A (0.34) SIGMAR1MCHR1EPHX2KMT2APDE1B
SCHEMBL24034785 0.84 SIGMAR1 (0.34) SIGMAR1MCHR1PDE2AGRM2
SCHEMBL24034840 0.84 MCHR1 (0.34) SIGMAR1MCHR1PDE2AFPR2PROKR1
SCHEMBL24034629 0.83 SIGMAR1 (0.34) SIGMAR1MCHR1EPHX2PDE2AGRM2
SCHEMBL24034844 0.83 FFAR2 (0.34) SIGMAR1MCHR1EPHX2PDE2AL3MBTL1
SCHEMBL24034846 0.83 FFAR2 (0.34) SIGMAR1MCHR1EPHX2PDE2AL3MBTL1
SCHEMBL24034780 0.83 PDE2A (0.32) SIGMAR1MCHR1PDE2AGRM2

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 11 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
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US 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 SIGMAR1 145/4885MCHR1 452/4885EPHX2 3189/4885

“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.