Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3179383 | 0.88 | KDM4E (0.50) | CYP2A13KDM4EALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL14938678 | 0.81 | CYP2A13 (0.57) | CYP2A13ALDH1A1MEN1KMT2ACXCR4 | |
| SCHEMBL4282318 | 0.80 | CYP2A13 (0.42) | CYP2A13KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL26640828 | 0.77 | CYP2A13 (0.42) | CYP2A13ALDH1A1MEN1KMT2ACXCR4 | |
| SCHEMBL21408640 | 0.77 | CYP3A4 (0.47) | CYP2A13KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL938713 | 0.77 | KDM4E (0.40) | CYP2A13KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL4110579 | 0.73 | CYP2A13 (1.00) | CYP2A13KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3543532 | 0.71 | ALDH1A1 (0.44) | CYP2A13KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL159991 | 0.71 | ALDH1A1 (0.53) | CYP2A13KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL5103797 | 0.71 | CYP2A13 (0.49) | CYP2A13KDM4EALDH1A1MEN1KMT2A |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7226926-B2 | 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME LTD. (GB) | 2007-06-05 | — | — | US | claimed |
| US-7381725-B2 | Pyridazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME LTD. (GB) | 2008-06-03 | — | — | US | disclosed |
| US-7226926-B2 | 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME LTD. (GB) | 2007-06-05 | — | — | US | disclosed |
| US-7176203-B2 | Imidazo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. | 2007-02-13 | — | — | US | disclosed |
| EP-1383768-B1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2006-09-06 | — | — | EP | disclosed |
| EP-1511748-B1 | 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2006-08-09 | — | — | EP | disclosed |
| US-20060148809-A1 | Pyridazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2006-07-06 | — | — | US | disclosed |
| US-7030128-B2 | Central nervous system disorders; anxiolytic agents; anticonvulsants; cognition activators; side effect reduction | MERCK SHARP & DOHME LTD. (GB) | 2006-04-18 | — | — | US | disclosed |
| US-20060058303-A1 | Imidazo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2006-03-16 | — | — | US | disclosed |
| US-20060052385-A1 | 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2006-03-09 | — | — | US | disclosed |
| EP-1511748-A1 | 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2005-03-09 | — | — | EP | disclosed |
| WO-2004076452-A1 | 5,8-DIFLUOROIMIDAZO[1,2-a]PYRIDINES AS GABA-A α2/α3 LIGANDS FOR TREATING ANXIETY AND/OR DEPRESSION | MERCK SHARP & DOHME LIMITED (GB) | 2004-09-10 | — | — | WO | disclosed |
| US-20040092533-A1 | Imidazo-pyrimidine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2004-05-13 | — | — | US | disclosed |
| EP-1383768-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2004-01-28 | — | — | EP | disclosed |
| WO-2003099817-A1 | 8-FLUORIMIDAZO`1,2-A!PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-12-04 | — | — | WO | disclosed |
| WO-2003093273-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-11-13 | — | — | WO | disclosed |
| WO-2003086406-A1 | IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-10-23 | — | — | WO | disclosed |
| WO-2002076983-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-10-03 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060148809-A1 | Pyridazine derivatives as ligands for gaba receptors | GABRA5, GABRA3, GABRA2 | CYP2A13 280/4885KDM4E 3075/4885ALDH1A1 1059/4885 |
| US-20040092533-A1 | Imidazo-pyrimidine derivatives as ligands for gaba receptors | GABRA3, GABRA1, GABRA4 | CYP2A13 322/4885KDM4E 3767/4885ALDH1A1 495/4885 |
| US-20060052385-A1 | 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors | GABRA3, GABRA2, GABRA5 | CYP2A13 379/4885KDM4E 3108/4885ALDH1A1 676/4885 |
| US-20060058303-A1 | Imidazo-triazine derivatives as ligands for gaba receptors | GABRA5, GABRA3, GABRA2 | CYP2A13 365/4885KDM4E 3505/4885ALDH1A1 1086/4885 |
“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.