SCHEMBL24034827

SCHEMBL24034827

Cn1nnc(-c2ccc(Cl)cc2F)c1Cn1ncc(N2CCOCC2)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 2/20 0.38
SLC2A1 P11166 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PRKDC P78527 5/20 0.34
KCNH2 Q12809 3/20 0.34
PDE2A O00408 1/20 0.34
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 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
SCHEMBL24034844 0.88 FFAR2 (0.34) L3MBTL1SIGMAR1MCHR1PDE2AEPHX2
SCHEMBL24034846 0.88 FFAR2 (0.34) L3MBTL1SIGMAR1MCHR1PDE2AEPHX2
SCHEMBL24034898 0.87 SIGMAR1 (0.35) L3MBTL1SIGMAR1MCHR1PDE2AEPHX2
SCHEMBL26095291 0.86 KMT2A (0.34) SIGMAR1ALDH1A1SMN1; SMN2MCHR1PDE2A
SCHEMBL24034795 0.86 KMT2A (0.34) SIGMAR1ALDH1A1SMN1; SMN2MCHR1PDE2A
SCHEMBL26097551 0.85 LMNA (0.37) ALDH1A1SMN1; SMN2EPHX2KDM4EUSP2
SCHEMBL24034785 0.84 SIGMAR1 (0.34) SIGMAR1MCHR1KCNH2PDE2AGRM2
SCHEMBL24034693 0.84 MCHR1 (0.33) L3MBTL1SIGMAR1MCHR1PDE2A
SCHEMBL24034757 0.84 MCHR1 (0.33) L3MBTL1SIGMAR1MCHR1
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 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
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
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 L3MBTL1 2328/4885SIGMAR1 145/4885ALDH1A1 1095/4885

“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.