SCHEMBL23927217

SCHEMBL23927217

Fc1cccc(F)c1C1=NCc2nnc(-c3ccncn3)n2-c2ccc(Br)c(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.35
GABRA1 P14867 5/20 0.34
GABRA5 P31644 5/20 0.34
GABRA2 P47869 5/20 0.34
GABRB2 P47870 5/20 0.34
GABRA3 P34903 3/20 0.34
TSHR P16473 1/20 0.32
PTAFR P25105 1/20 0.32
TNKS2 Q9H2K2 5/20 0.32
TNKS O95271 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
GSK3B P49841 1/20 0.30
BRD4 O60885 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
CNR1 P21554 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL30202058 1.00 P2RX7 (0.35) P2RX7GABRA1GABRA5GABRA2GABRB2
SCHEMBL23927115 0.91 P2RX7 (0.39) P2RX7GABRA1GABRA5GABRA2GABRB2
SCHEMBL23927173 0.91 GABRA1 (0.35) P2RX7GABRA1GABRA5GABRA2GABRB2
SCHEMBL23927139 0.90 GABRA1 (0.34) P2RX7GABRA1GABRA5GABRA2GABRB2
SCHEMBL30201793 0.90 GABRA1 (0.34) P2RX7GABRA1GABRA5GABRA2GABRB2
SCHEMBL23927119 0.90 P2RX7 (0.37) P2RX7GABRA1GABRA5GABRA2GABRB2
SCHEMBL23927154 0.86 SMN1; SMN2 (0.37) P2RX7GABRA1GABRA5GABRA2GABRB2
SCHEMBL23927189 0.85 TNKS2 (0.37) P2RX7GABRA1GABRA5GABRA2GABRB2
SCHEMBL30202152 0.85 TNKS2 (0.37) P2RX7GABRA1GABRA5GABRA2GABRB2
SCHEMBL23927172 0.85 GABRA1 (0.35) P2RX7GABRA1GABRA5GABRA2GABRB2

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 5 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 disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP 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

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 P2RX7 303/4885GABRA1 1/4885GABRA5 9/4885

“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.