SCHEMBL25448191

SCHEMBL25448191

Cc1ccc2c(c1Cl)C(c1ncccc1F)=NCc1nnc(C)n1-2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 6/20 0.46
GABRA1 P14867 9/20 0.44
GABRA5 P31644 9/20 0.44
GABRA2 P47869 9/20 0.44
GABRB2 P47870 8/20 0.44
GABRA3 P34903 6/20 0.43
OPRK1 P41145 2/20 0.43
BRD4 O60885 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
CNR1 P21554 1/20 0.43
GABRG2 P18507 1/20 0.43
HTR2A P28223 1/20 0.43
GABRB3 P28472 1/20 0.43
ADRA1A P35348 1/20 0.43
PDE4D Q08499 1/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL23927109 0.92 PTAFR (0.46) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL23927153 0.90 GABRA1 (0.46) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL30201836 0.90 GABRA1 (0.46) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL23927176 0.88 PTAFR (0.43) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL25448187 0.86 GABRA1 (0.36) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL23927143 0.86 PTAFR (0.50) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL25448183 0.85 P2RX7 (0.35) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL25448184 0.84 ADORA2A (0.33) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL30201991 0.77 P2RX7 (0.35) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL23927183 0.77 PTAFR (0.50) PTAFRGABRA1GABRA5GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US 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 PTAFR 1947/4885GABRA1 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.