Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 15/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 15/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 14/20 | 0.43 |
| ▸ | CDK2 | P24941 | 14/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 14/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.41 |
| ▸ | MGMT | P16455 | 6/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18702352 | 0.81 | CDK1 (0.42) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL5201806 | 0.81 | CDK1 (0.65) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL30677864 | 0.75 | PDPK1 (0.58) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL14542385 | 0.64 | PIN1 (0.72) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL13695584 | 0.63 | — | — | |
| Methylguanine SCHEMBL231097 | 0.63 | CDK1 (0.69) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL9503859 | 0.63 | PDPK1 (0.56) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL1443987 | 0.63 | PDPK1 (0.56) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL453220 | 0.63 | PDPK1 (0.59) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| Methylguanine SCHEMBL29903462 | 0.63 | CDK1 (0.69) | CDK1CCNB1CCNA2CDK2CCNA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170027946-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2017-02-02 | — | — | US | disclosed |
| WO-2011028922-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-03-10 | — | — | WO | disclosed |
| WO-2011028835-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-03-10 | — | — | WO | disclosed |
| WO-2009108375-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC (US) | 2009-09-03 | — | — | WO | disclosed |
| WO-2009108383-A2 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2009-09-03 | — | — | 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-20170027946-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | CDK1 3879/4885CCNB1 4486/4885CCNA2 4570/4885 |
“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.