Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.50 |
| ▸ | CA1 | P00915 | 7/20 | 0.50 |
| ▸ | CA2 | P00918 | 7/20 | 0.50 |
| ▸ | CA9 | Q16790 | 7/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | CA6 | P23280 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 8/20 | 0.48 |
| ▸ | CDK1 | P06493 | 8/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 8/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 8/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CDK4 | P11802 | 3/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.47 |
| ▸ | CCND1 | P24385 | 3/20 | 0.47 |
| ▸ | CDK2 | P24941 | 3/20 | 0.47 |
| ▸ | MAPK3 | P27361 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12781133 | 0.84 | CA1 (0.49) | CA12CA1CA2CA9CA4 | |
| SCHEMBL12781130 | 0.84 | CA1 (0.45) | CA12CA1CA2CA9CCNB2 | |
| SCHEMBL12781128 | 0.81 | FLT3 (0.48) | CA12CA1CA2CA9CCNB2 | |
| SCHEMBL12781240 | 0.81 | CA1 (0.48) | CA12CA1CA2CA9CA4 | |
| SCHEMBL12781202 | 0.79 | JAK2 (0.46) | CA12CA1CA2CA9CA4 | |
| SCHEMBL12781164 | 0.75 | CA12 (0.51) | CA12CA1CA2CA9CA4 | |
| SCHEMBL12782608 | 0.73 | CA1 (0.52) | CA12CA1CA2CA9CA4 | |
| SCHEMBL12781091 | 0.73 | CDK1 (0.50) | CA12CA1CA2CA9CA4 | |
| SCHEMBL14369974 | 0.72 | JAK2 (0.57) | CA12CA1CA2CA9CA4 | |
| SCHEMBL12781116 | 0.72 | KDR (0.50) | CA12CA1CA2CA9CCNB2 |
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 | CA12 4228/4885CA1 2384/4885CA2 1063/4885 |
“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.