SCHEMBL23927189

SCHEMBL23927189

Clc1cccnc1C1=NCc2nnc(-c3ccncn3)n2-c2ccc(Br)c(Cl)c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 7/20 0.37
TNKS O95271 5/20 0.37
GABRA1 P14867 5/20 0.36
GABRA5 P31644 5/20 0.36
GABRA3 P34903 5/20 0.36
GABRA2 P47869 5/20 0.36
GABRB2 P47870 4/20 0.36
TSHR P16473 1/20 0.36
P2RX7 Q99572 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
GABRG2 P18507 1/20 0.33
HTR2A P28223 1/20 0.33
GABRB3 P28472 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
PDE4D Q08499 1/20 0.33
PTAFR P25105 3/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL30202152 1.00 TNKS2 (0.37) TNKS2TNKSGABRA1GABRA5GABRA3
SCHEMBL23927139 0.92 GABRA1 (0.34) TNKS2TNKSGABRA1GABRA5GABRA3
SCHEMBL30201793 0.92 GABRA1 (0.34) TNKS2TNKSGABRA1GABRA5GABRA3
SCHEMBL30202113 0.87 GABRA1 (0.39) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23927124 0.87 GABRA1 (0.39) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23927217 0.85 P2RX7 (0.35) TNKS2TNKSGABRA1GABRA5GABRA3
SCHEMBL30202058 0.85 P2RX7 (0.35) TNKS2TNKSGABRA1GABRA5GABRA3
SCHEMBL23927150 0.84 P2RX7 (0.37) TNKS2TNKSGABRA1GABRA5GABRA3
SCHEMBL25448183 0.82 P2RX7 (0.35) TNKS2TNKSGABRA1GABRA5GABRA3
SCHEMBL23927133 0.80 P2RX7 (0.41) TNKS2TNKSGABRA1GABRA5GABRA3

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-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
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 TNKS2 3705/4885TNKS 2635/4885GABRA1 1/4885

“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.