SCHEMBL2644545

SCHEMBL2644545

N#Cc1cc(F)ccc1-c1cc(Br)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.45
GABRG2 P18507 10/20 0.45
GABRB3 P28472 10/20 0.45
GABRA5 P31644 8/20 0.45
GABRA3 P34903 8/20 0.45
GABRA2 P47869 4/20 0.45
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
S100A4 P26447 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33

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
SCHEMBL2648069 0.87 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2653493 0.85 BIRC5 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21116203 0.82 USP8 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2648329 0.81 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2650000 0.80 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652917 0.80 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652017 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31310581 0.78 MAOB (0.44) MAOAMAOBESR1ESR2S100A4
SCHEMBL19062226 0.78 MAOB (0.44) MAOAMAOBESR1ESR2S100A4
SCHEMBL3863531 0.77 CYP11B1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485640-B2 Imidazopyrazinones as GABA-A receptor anxiolytics MERCK SHARP & DOHME LIMITED (GB) 2009-02-03 US disclosed
US-7279580-B2 Imidazo-pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LIMITED (GB) 2007-10-09 US disclosed
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP disclosed
US-20060014744-A1 Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic MERCK SHARP & DOHME LTD. (GB) 2006-01-19 US disclosed
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
EP-1409488-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-16 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-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2005-07-28 US disclosed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-20030216395-A1 Imidazo-triazine derivatives as ligands for GABA receptors CARLING WILLIAM ROBERT (GB) 2003-11-20 US disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 EP disclosed
US-6617326-B2 For therapy and prophylaxis of adverse conditions of the central nervous system, including anxiety and convulsions MERCK SHARP & DOHME LTD. 2003-09-09 US disclosed
US-20030055060-A1 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-20 US disclosed
WO-2003008418-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-01-30 WO 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-2002074772-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 (5 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 GABRA1 2/4885GABRG2 15/4885GABRB3 8/4885
US-20030216395-A1 Imidazo-triazine derivatives as ligands for GABA receptors GABRA2, GABRA3, GABRA1 GABRA1 3/4885GABRG2 14/4885GABRB3 8/4885
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 GABRA1 5/4885GABRG2 15/4885GABRB3 6/4885
US-20060014744-A1 Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRG2 22/4885GABRB3 11/4885
US-20030055060-A1 Imidazo-triazine derivatives as ligands for GABA receptors GABRA2, GABRA1, GABRA3 GABRA1 2/4885GABRG2 15/4885GABRB3 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.