SCHEMBL2649508

SCHEMBL2649508

N#Cc1cccnc1-c1cc(B(O)O)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.45
GABRB3 P28472 5/20 0.45
GABRA5 P31644 5/20 0.45
GABRA3 P34903 5/20 0.45
GABRA1 P14867 4/20 0.45
GABRA2 P47869 1/20 0.45
CYP11B2 P19099 2/20 0.36
ENPP2 Q13822 2/20 0.36
GRM4 Q14833 1/20 0.36
HDAC1 Q13547 1/20 0.36
PDE4B Q07343 1/20 0.34
CNR2 P34972 1/20 0.34
TGFBR1 P36897 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL2649292 0.83 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3288797 0.81 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2650903 0.79 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2649411 0.79 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3296198 0.76 CHUK (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2649739 0.74 MAPT (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3291131 0.73 ADORA1 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL247641 0.72 ENPP2 (0.47) ENPP2GRM4CNR2
SCHEMBL3292813 0.71 BCAT1 (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3295664 0.71 CNR2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1

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 13 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
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 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
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP 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
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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 (3 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 GABRG2 15/4885GABRB3 8/4885GABRA5 5/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 GABRG2 14/4885GABRB3 9/4885GABRA5 2/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 GABRG2 14/4885GABRB3 11/4885GABRA5 5/4885

“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.