Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 13/20 | 0.46 |
| ▸ | CA1 | P00915 | 10/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.41 |
| ▸ | CDK1 | P06493 | 4/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12781188 | 0.83 | JAK2 (0.46) | CA2CA1CCNB2CDK1CCNB1 | |
| SCHEMBL12781118 | 0.77 | CCNB2 (0.49) | CA2CA1CCNB2CDK1CCNB1 | |
| SCHEMBL12781025 | 0.77 | CA2 (0.51) | CA2CA1CCNB2CDK1CCNB1 | |
| SCHEMBL12781088 | 0.77 | JAK2 (0.53) | CA2CA1CCNB2CDK1CCNB1 | |
| SCHEMBL12781106 | 0.76 | CCNB2 (0.43) | CA2CA1CCNB2CDK1CCNB1 | |
| SCHEMBL12781103 | 0.76 | JAK2 (0.51) | CA2CA1CCNB2CDK1CCNB1 | |
| SCHEMBL12781148 | 0.76 | BACE1 (0.51) | CA2CA1CCNB2CDK1CCNB1 | |
| SCHEMBL12781085 | 0.75 | BACE1 (0.53) | CA2CA1CCNB2CDK1CCNB1 | |
| SCHEMBL12781185 | 0.75 | BACE1 (0.51) | CA2CA1CCNB2CDK1CCNB1 | |
| SCHEMBL12781140 | 0.74 | BACE1 (0.53) | CA2CA1CCNB2CDK1CCNB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7902239-B2 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-08 | — | — | US | disclosed |
| US-7902239-B2 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-08 | — | — | US | disclosed |
| US-20080014189-A1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-17 | — | — | US | disclosed |
| US-20080014189-A1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-17 | — | — | US | disclosed |
| US-7279469-B2 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-09 | — | — | US | disclosed |
| US-7279469-B2 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-09 | — | — | 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-20080014189-A1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K5 | CA2 1063/4885CA1 2384/4885CCNB2 1103/4885 |
“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.