Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | LOX | P28300 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31049812 | 0.81 | PDE4A (0.39) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL2749231 | 0.80 | NPC1 (0.47) | LMNAPTGS2CA1CA2 | |
| SCHEMBL23674532 | 0.79 | CA1 (0.39) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL2749354 | 0.79 | RAB9A (0.43) | PDE4APDE4CPDE4DLMNAPTGS2 | |
| SCHEMBL6481315 | 0.78 | PDE4A (0.39) | PDE4APDE4CPDE4DLOXL2CA1 | |
| SCHEMBL16559590 | 0.76 | NFE2L2 (0.40) | NFE2L2LMNAPTGS1PTGS2CA1 | |
| SCHEMBL6474640 | 0.76 | CNR2 (0.43) | PDE4APDE4CPDE4DLOXL2CA1 | |
| SCHEMBL31090281 | 0.75 | PDE4A (0.45) | PDE4APDE4CPDE4DPLAUCA1 | |
| SCHEMBL451684 | 0.75 | STS (0.47) | NFE2L2LMNAPTGS1PTGS2CA1 | |
| SCHEMBL8499219 | 0.75 | L3MBTL1 (0.50) | PLAULMNAPTGS1PTGS2CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060199823-A1 | Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands | NEUROGEN CORPORATION (US) | 2006-09-07 | — | — | US | disclosed |
| EP-1680424-A2 | HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS | Neurogen Corporation (US) | 2006-07-19 | — | — | EP | disclosed |
| EP-1675858-A2 | 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2006-07-05 | — | — | EP | disclosed |
| US-20050113379-A1 | Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands | AVENTIS PHARMACEUTICALS, INC. | 2005-05-26 | — | — | US | disclosed |
| US-20050070542-A1 | 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds | NEUROGEN CORPORATION | 2005-03-31 | — | — | US | disclosed |
| WO-2005028480-A2 | 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2005-03-31 | — | — | WO | disclosed |
| WO-2005023806-A2 | HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-03-17 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050070542-A1 | 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds | CRHR1, HTR5A, HTR1D | CCR1 222/4885CCR5 203/4885CCR8 953/4885 |
| US-20060199823-A1 | Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands | CRHR1, CRHR2, HTR5A | CCR1 293/4885CCR5 215/4885CCR8 1668/4885 |
| US-20050113379-A1 | Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands | CRHR1, CRHR2, HTR5A | CCR1 293/4885CCR5 215/4885CCR8 1668/4885 |
“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.