Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.58 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.53 |
| ▸ | CDK2 | P24941 | 4/20 | 0.53 |
| ▸ | CCNB2 | O95067 | 6/20 | 0.52 |
| ▸ | CDK1 | P06493 | 6/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.52 |
| ▸ | CCNB3 | Q8WWL7 | 6/20 | 0.52 |
| ▸ | JAK2 | O60674 | 6/20 | 0.51 |
| ▸ | AXL | P30530 | 2/20 | 0.50 |
| ▸ | EIF2AK2 | P19525 | 3/20 | 0.47 |
| ▸ | AURKA | O14965 | 2/20 | 0.47 |
| ▸ | CDK4 | P11802 | 2/20 | 0.47 |
| ▸ | CCND1 | P24385 | 2/20 | 0.47 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.47 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.47 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.47 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.47 |
| ▸ | CLK1 | P49759 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12780945 | 0.89 | JAK3 (0.51) | BACE1CCNA2CDK2CDK1CCNB1 | |
| SCHEMBL12781074 | 0.89 | BACE1 (0.55) | BACE1CCNA2CDK2CCNB2CDK1 | |
| SCHEMBL12781051 | 0.88 | BACE1 (0.54) | BACE1CCNA2CDK2CCNB2CDK1 | |
| SCHEMBL12780866 | 0.86 | BACE1 (0.64) | BACE1AXLMAPK1KITFLT3 | |
| SCHEMBL12779066 | 0.86 | BACE1 (0.63) | BACE1AXLMAPK1GSK3BJAK1 | |
| SCHEMBL12781013 | 0.86 | BACE1 (0.57) | BACE1CCNA2CDK2AXLMAPK1 | |
| SCHEMBL12781041 | 0.85 | CA12 (0.51) | BACE1CCNA2CDK2CCNB2CDK1 | |
| SCHEMBL12781057 | 0.85 | BACE1 (0.61) | BACE1CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL2088260 | 0.85 | BACE1 (0.50) | BACE1CCNA2CDK2CCNB2CDK1 | |
| SCHEMBL12780934 | 0.84 | BACE1 (0.62) | BACE1AXLMAPK1KITFLT3 |
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 | BACE1 3044/4885CCNA2 868/4885CDK2 45/4885 |
“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.