Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 1.00 |
| ▸ | CDK6 | Q00534 | 18/20 | 1.00 |
| ▸ | CDK2 | P24941 | 17/20 | 1.00 |
| ▸ | CDK1 | P06493 | 11/20 | 1.00 |
| ▸ | CCND3 | P30281 | 10/20 | 1.00 |
| ▸ | CCNA2 | P20248 | 9/20 | 1.00 |
| ▸ | CDK7 | P50613 | 9/20 | 1.00 |
| ▸ | CDK9 | P50750 | 9/20 | 1.00 |
| ▸ | CDK5 | Q00535 | 8/20 | 1.00 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.79 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.79 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.79 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.79 |
| ▸ | JAK2 | O60674 | 1/20 | 0.79 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.79 |
| ▸ | EGFR | P00533 | 1/20 | 0.79 |
| ▸ | RAF1 | P04049 | 1/20 | 0.79 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.79 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.79 |
| ▸ | SRC | P12931 | 1/20 | 0.79 |
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 | |
|---|---|---|---|---|
| SCHEMBL29839750 | 1.00 | CDK4 (1.00) | CDK4CDK6CDK2CDK1CCND3 | |
| SCHEMBL19088996 | 0.97 | CDK4 (1.00) | CDK4CDK6CDK2CDK1CCND3 | |
| SCHEMBL19088968 | 0.97 | CDK4 (1.00) | CDK4CDK6CDK2CDK1CCND3 | |
| SCHEMBL19088985 | 0.97 | CDK4 (1.00) | CDK4CDK6CDK2CDK1CCND3 | |
| SCHEMBL19089158 | 0.96 | CDK4 (1.00) | CDK4CDK6CDK2CDK1CCND3 | |
| SCHEMBL19089051 | 0.94 | CDK4 (0.90) | CDK4CDK6CDK2CDK1CCND3 | |
| SCHEMBL19089181 | 0.94 | CDK4 (0.88) | CDK4CDK6CDK2CDK1CCND3 | |
| SCHEMBL19089182 | 0.94 | CDK4 (0.88) | CDK4CDK6CDK2CDK1CCND3 | |
| SCHEMBL19089170 | 0.93 | CDK4 (0.87) | CDK4CDK6CDK2CDK1CCND3 | |
| SCHEMBL19089175 | 0.93 | CDK4 (0.87) | CDK4CDK6CDK2CDK1CCND3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3398947-B1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF | SHANGHAI PHARMACEUTICALS HOLDING CO LTD (CN) | 2024-08-28 | — | — | EP | disclosed |
| WO-2022171117-A1 | SALT OF NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND OR CRYSTAL FORM THEREOF, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海医药集团股份有限公司 | 2022-08-18 | — | — | WO | disclosed |
| CN-114907343-A | Salt and crystal form of nitrogen-containing fused heterocyclic compound, preparation method, pharmaceutical composition and application thereof | 上海医药集团股份有限公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-106928219-B | Nitrogen-containing fused heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2021-08-20 | — | — | CN | disclosed |
| US-10988476-B2 | Substituted pyrimidines as cyclin-dependent kinase inhibitors | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2021-04-27 | — | — | US | disclosed |
| US-10988476-B2 | Substituted pyrimidines as cyclin-dependent kinase inhibitors | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2021-04-27 | — | — | US | disclosed |
| US-20200239470-A1 | Substituted Pyrimidine Compound for Treating Cancer | SHANGHAI PHARMACEUTICALS HOLDING CO LTD (CN) | 2020-07-30 | — | — | US | disclosed |
| US-20200239470-A1 | Substituted Pyrimidine Compound for Treating Cancer | SHANGHAI PHARMACEUTICALS HOLDING CO LTD (CN) | 2020-07-30 | — | — | US | disclosed |
| US-10662186-B2 | Substituted pyrimidines as cyclin-dependent kinase inhibitors | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2020-05-26 | — | — | US | disclosed |
| US-10662186-B2 | Substituted pyrimidines as cyclin-dependent kinase inhibitors | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2020-05-26 | — | — | US | disclosed |
| US-20190010153-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2019-01-10 | — | — | US | disclosed |
| EP-3398947-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2018-11-07 | — | — | EP | disclosed |
| WO-2017114512-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2017-07-06 | — | — | 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 (4 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-20200239470-A1 | Substituted Pyrimidine Compound for Treating Cancer | DPYD, TYMP, TYMS | CDK4 93/4885CDK6 129/4885CDK2 112/4885 |
| US-10662186-B2 | Substituted pyrimidines as cyclin-dependent kinase inhibitors | CDK6, CDK4, CCNI | CDK4 2/4885CDK6 1/4885CDK2 6/4885 |
| US-20190010153-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF | CDK6, CDK4, CCNI | CDK4 2/4885CDK6 1/4885CDK2 13/4885 |
| US-10988476-B2 | Substituted pyrimidines as cyclin-dependent kinase inhibitors | CDK1, CCNI, CDK2 | CDK4 5/4885CDK6 9/4885CDK2 3/4885 |
“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.