SCHEMBL30111751

SCHEMBL30111751

COc1ncccc1N1CCN(c2cnn(Cc3c(C)nnn3-c3ccc(Cl)cc3F)c(=O)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.37
BRD2 P25440 9/20 0.37
BRD3 Q15059 9/20 0.37
CREBBP Q92793 7/20 0.37
SLC2A1 P11166 1/20 0.35
SLC2A2 P11168 1/20 0.35
SLC2A3 P11169 1/20 0.35
AVPR1B P47901 2/20 0.35
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR6 P46095 3/20 0.33
GRM5 P41594 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
SCHEMBL24034610 1.00 BRD4 (0.37) BRD4BRD2BRD3CREBBPSLC2A1
SCHEMBL24034794 0.82 L3MBTL1 (0.45) BRD4BRD2BRD3SCN9AMEN1
SCHEMBL30111766 0.81 DRD2 (0.34) BRD4BRD2BRD3SCN9A
SCHEMBL24034787 0.81 DRD2 (0.34) BRD4BRD2BRD3SCN9A
SCHEMBL24034711 0.80 MAPT (0.40) MEN1MAPTKMT2A
SCHEMBL30111745 0.80 GRM2 (0.35) SCN9A
SCHEMBL24034905 0.80 GRM2 (0.35) SCN9A
SCHEMBL24034894 0.79 F10 (0.36) BRD4BRD2BRD3
SCHEMBL24034848 0.79 F10 (0.37) BRD4BRD2BRD3
SCHEMBL24034786 0.78 CACNA2D1 (0.32)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 BRD4 1577/4885BRD2 2146/4885BRD3 1440/4885

“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.