Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 19/20 | 0.76 |
| ▸ | CCND1 | P24385 | 18/20 | 0.76 |
| ▸ | CDK6 | Q00534 | 11/20 | 0.76 |
| ▸ | CCND3 | P30281 | 5/20 | 0.76 |
| ▸ | CDK2 | P24941 | 4/20 | 0.76 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.76 |
| ▸ | GAK | O14976 | 1/20 | 0.76 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.76 |
| ▸ | FECH | P22830 | 1/20 | 0.76 |
| ▸ | CDK9 | P50750 | 1/20 | 0.76 |
| ▸ | CDK16 | Q00536 | 1/20 | 0.76 |
| ▸ | MAP3K1 | Q13233 | 1/20 | 0.76 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.76 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.76 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.76 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.76 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.76 |
| ▸ | CDK1 | P06493 | 1/20 | 0.73 |
| ▸ | CCND2 | P30279 | 4/20 | 0.69 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL303542 | 0.90 | CDK4 (0.80) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL31121782 | 0.90 | CDK4 (0.80) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL29507623 | 0.90 | CDK4 (0.80) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL23837859 | 0.88 | CDK4 (0.83) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL29507453 | 0.88 | CDK4 (0.81) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL2685016 | 0.88 | CDK4 (0.81) | CDK4CCND1CDK6CCND3CDK2 | |
| Ribociclib SCHEMBL15163875 | 0.87 | CDK4 (0.89) | CDK4CCND1CDK6CCND3CDK2 | |
| Dimethylamine SCHEMBL28726027 | 0.87 | CDK4 (0.80) | CDK4CCND1CDK6CCND3CDK2 | |
| Ribociclib SCHEMBL2364219 | 0.87 | CDK4 (0.91) | CDK4CCND1CDK6CCND3CDK2 | |
| Ribociclib SCHEMBL302310 | 0.86 | CDK4 (1.00) | CDK4CCND1CDK6CCND3CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2536727-B1 | DEUTERATED PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2014-07-02 | — | — | EP | claimed |
| US-20130203765-A1 | DEUTERATED PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2013-08-08 | — | — | US | claimed |
| EP-2536727-A1 | DEUTERATED PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | Novartis AG (CH) | 2012-12-26 | — | — | EP | claimed |
| WO-2011101417-A1 | DEUTERATED PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | claimed |
| EP-2536727-B1 | DEUTERATED PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2014-07-02 | — | — | EP | disclosed |
| US-20130203765-A1 | DEUTERATED PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2013-08-08 | — | — | US | disclosed |
| WO-2011101417-A1 | DEUTERATED PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | 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 (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-20130203765-A1 | DEUTERATED PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | CDK4, CDK6, CCNI | CDK4 1/4885CCND1 7/4885CDK6 2/4885 |
“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.