SCHEMBL2648865

SCHEMBL2648865

Fc1ccc(Br)cc1-c1ncccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 10/20 0.51
GABRA3 P34903 10/20 0.51
GABRG2 P18507 9/20 0.51
GABRB3 P28472 9/20 0.51
GABRA1 P14867 9/20 0.51
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
CDC25B P30305 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
NMUR2 Q9GZQ4 1/20 0.35

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
SCHEMBL2650903 0.81 GABRG2 (0.47) GABRA5GABRA3GABRG2GABRB3GABRA1
SCHEMBL6220477 0.79 HTT (0.41) GABRA5GABRA3GABRA1HTTCYP1A2
SCHEMBL2651744 0.79 GABRG2 (0.51) GABRA5GABRA3GABRG2GABRB3GABRA1
SCHEMBL30549074 0.79 GABRG2 (0.51) GABRA5GABRA3GABRG2GABRB3GABRA1
SCHEMBL1066139 0.75 GABRG2 (0.52) GABRA5GABRA3GABRG2GABRB3GABRA1
SCHEMBL2649276 0.75 KDM4E (0.45) GABRA5GABRA3GABRA1HTTCYP1A2
SCHEMBL2649292 0.75 GABRG2 (0.48) GABRA5GABRA3GABRG2GABRB3GABRA1
SCHEMBL1357821 0.74 ALDH1A1 (0.42) MAPTHPGDKMT2ASMN1; SMN2NPC1
SCHEMBL15624391 0.73 TDP1 (0.44) GABRA5GABRA3GABRG2GABRB3GABRA1
SCHEMBL2650831 0.72 MAPT (0.57) GABRA5GABRA3GABRG2GABRB3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
US-6960598-B2 (1,8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. 2005-11-01 US disclosed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US disclosed
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. (GB) 2004-09-02 US disclosed
WO-2004065388-A1 FLUOROIMIDAZOPYRIMIDINES AS GABA-A ALPHA 2/3 LIGANDS FOR DEPRESSION/ANXIETY MERCK SHARP & DOHME LIMITED (GB) 2004-08-05 WO disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 EP disclosed
WO-2003006464-A1 (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES MERCK SHARP & DOHME LIMITED (GB) 2003-01-23 WO disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 WO 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 (2 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-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 GABRA5 2/4885GABRA3 4/4885GABRG2 14/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 GABRA5 5/4885GABRA3 6/4885GABRG2 14/4885

“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.