SCHEMBL23927124

SCHEMBL23927124

Clc1cccnc1C1=NCc2nnc(-c3cccnn3)n2-c2ccc(Br)c(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.39
GABRA5 P31644 7/20 0.39
GABRA2 P47869 7/20 0.39
GABRA3 P34903 6/20 0.39
GABRB2 P47870 6/20 0.39
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
P2RX7 Q99572 2/20 0.35
OPRK1 P41145 2/20 0.34
GABRG2 P18507 1/20 0.34
HTR2A P28223 1/20 0.34
GABRB3 P28472 1/20 0.34
ADRA1A P35348 1/20 0.34
PDE4D Q08499 1/20 0.34
PTAFR P25105 7/20 0.33
BRD4 O60885 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 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
SCHEMBL30202113 1.00 GABRA1 (0.39) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL23927175 0.92 GABRA1 (0.37) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL30201913 0.92 GABRA1 (0.37) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL30202152 0.87 TNKS2 (0.37) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL23927189 0.87 TNKS2 (0.37) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL23927172 0.85 GABRA1 (0.35) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL30202054 0.85 GABRA1 (0.35) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL23927170 0.84 P2RX7 (0.35) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL30201991 0.84 P2RX7 (0.35) GABRA1GABRA5GABRA2GABRA3GABRB2
SCHEMBL23881507 0.83 PTAFR (0.42) GABRA1GABRA5GABRA2GABRA3GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP claimed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US claimed
CN-115667262-A Benzodiazepine derivatives as GABAA γ 1PAM 豪夫迈·罗氏有限公司 2023-01-31 CN claimed
EP-3901155-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2021-10-27 EP claimed
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
CN-115667262-A Benzodiazepine derivatives as GABAA γ 1PAM 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
WO-2021213952-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
EP-3901155-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3901155-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2021-10-27 EP 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-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRB3 GABRA1 1/4885GABRA5 9/4885GABRA2 7/4885

“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.