Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 10/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.52 |
| ▸ | RAF1 | P04049 | 2/20 | 0.52 |
| ▸ | ARAF | P10398 | 2/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 7/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 7/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 7/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GCK | P35557 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7452118 | 0.88 | BRAF (0.50) | BRAFHDAC1RAF1ARAFHDAC3 | |
| SCHEMBL267612 | 0.87 | ALDH1A1 (0.56) | ALDH1A1GCKHPGDHSD17B10KDM4E | |
| SCHEMBL23882042 | 0.85 | ALDH1A1 (0.47) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| SCHEMBL7448597 | 0.84 | CHEK1 (0.50) | ALDH1A1MAPTPLK1CHEK2CHEK1 | |
| SCHEMBL23757458 | 0.83 | BRAF (0.46) | BRAFHDAC1RAF1ARAFHDAC3 | |
| SCHEMBL1558756 | 0.83 | BRAF (0.65) | BRAFHDAC1RAF1ARAFHDAC3 | |
| SCHEMBL23756873 | 0.82 | ALDH1A1 (0.48) | BRAFHDAC1RAF1ARAFHDAC3 | |
| SCHEMBL21707874 | 0.82 | ALDH1A1 (0.55) | ALDH1A1GCKHPGDHSD17B10KDM4E | |
| SCHEMBL7450174 | 0.82 | BRAF (0.50) | BRAFHDAC1RAF1ARAFHDAC3 | |
| SCHEMBL7456465 | 0.81 | PDE10A (0.47) | BRAFHDAC1RAF1ARAFALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2580207-B1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2017-09-27 | — | — | EP | claimed |
| US-8703768-B2 | Nitrogen containing heteroaryl compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-04-22 | — | — | US | claimed |
| US-8623866-B2 | — | — | 2014-01-07 | — | — | US | claimed |
| EP-2580207-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2013-04-17 | — | — | EP | claimed |
| WO-2011154327-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | WO | claimed |
| US-20110306589-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | US | claimed |
| EP-2580207-B1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2017-09-27 | — | — | EP | disclosed |
| US-8703768-B2 | Nitrogen containing heteroaryl compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-04-22 | — | — | US | disclosed |
| US-8623866-B2 | — | — | 2014-01-07 | — | — | US | disclosed |
| EP-2580207-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2013-04-17 | — | — | EP | disclosed |
| WO-2011154327-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | WO | disclosed |
| US-20110306589-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | 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 (1 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-20110306589-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | PDE10A, PDE3A, PDE2A | BRAF 2908/4885HDAC1 228/4885RAF1 2464/4885 |
“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.