SCHEMBL6203059

SCHEMBL6203059

CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 1.00
GABRG2 P18507 20/20 1.00
GABRB3 P28472 20/20 1.00
GABRA2 P47869 11/20 1.00
GABRA3 P34903 17/20 0.82
GABRA5 P31644 15/20 0.82

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
SCHEMBL2658065 0.92 GABRA1 (0.86) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200753 0.90 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6199608 0.90 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL2660125 0.88 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6216804 0.85 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL2657699 0.85 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL1081801 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6199882 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6199625 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL2657944 0.82 GABRA1 (0.85) GABRA1GABRG2GABRB3GABRA2GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409488-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-16 EP claimed
US-6696444-B2 NEUROTRANSMITTER ANTAGONISTS COMPRISING COMPOUNDS SUCH AS 4,2'-DIFLUORO-5'-(3-(1-FLUORO-1-METHYLETHYL)IMIDAZO(1,2-B)(1,2 ,4) TRIAZIN-7-YL)BIPHENYL-2-CARBONITRILE, ADMINISTERED FOR THE PROPHYLAXIS OF HEADACHES OR AS ANTICONVULSANTS MERCK SHARPE & DOHME (GB) 2004-02-24 US claimed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US claimed
US-20030216395-A1 Imidazo-triazine derivatives as ligands for GABA receptors CARLING WILLIAM ROBERT (GB) 2003-11-20 US claimed
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 claimed
US-20030055060-A1 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-20 US claimed
US-20190134057-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF ITCH UNIVERSITAT ZURICH (CH) 2019-05-09 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-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US disclosed
US-6696444-B2 NEUROTRANSMITTER ANTAGONISTS COMPRISING COMPOUNDS SUCH AS 4,2'-DIFLUORO-5'-(3-(1-FLUORO-1-METHYLETHYL)IMIDAZO(1,2-B)(1,2 ,4) TRIAZIN-7-YL)BIPHENYL-2-CARBONITRILE, ADMINISTERED FOR THE PROPHYLAXIS OF HEADACHES OR AS ANTICONVULSANTS MERCK SHARPE & DOHME (GB) 2004-02-24 US disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
US-20030216395-A1 Imidazo-triazine derivatives as ligands for GABA receptors CARLING WILLIAM ROBERT (GB) 2003-11-20 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20190134057-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF ITCH GABRB2, GABRB3, GABRB1 GABRA1 11/4885GABRG2 8/4885GABRB3 2/4885
US-20030216395-A1 Imidazo-triazine derivatives as ligands for GABA receptors GABRA2, GABRA3, GABRA1 GABRA1 3/4885GABRG2 14/4885GABRB3 8/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 GABRA1 3/4885GABRG2 14/4885GABRB3 9/4885
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.