Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3631151 | 0.84 | HDAC1 (0.46) | ALDH1A1HDAC1HDAC2HDAC3KCNH3 | |
| SCHEMBL14017807 | 0.79 | MAPT (0.39) | KCNH3HTT | |
| SCHEMBL13831610 | 0.78 | MAPT (0.40) | ALDH1A1KCNH3GAAHTT | |
| SCHEMBL6707715 | 0.78 | TDP1 (0.48) | ALDH1A1GAAHTT | |
| SCHEMBL5513056 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HDAC1KEAP1HDAC2HDAC3 | |
| SCHEMBL29464092 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HDAC1KEAP1HDAC2HDAC3 | |
| SCHEMBL17254674 | 0.76 | KCNH3 (0.36) | ALDH1A1KCNH3 | |
| SCHEMBL2841149 | 0.76 | KCNH3 (0.36) | ALDH1A1KCNH3HTT | |
| SCHEMBL12890447 | 0.76 | IDO1 (0.47) | ALDH1A1KCNH3 | |
| SCHEMBL31479782 | 0.76 | KCNH3 (0.36) | ALDH1A1KCNH3 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024210572-A1 | NOVEL IMIDAZOLE DERIVATIVE AND USE THEREOF | 주식회사 펠레메드 | 2024-10-10 | — | — | WO | disclosed |
| EP-3345900-B1 | 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF | BEBETTER MED INC (CN) | 2024-06-12 | — | — | EP | disclosed |
| US-11267802-B2 | 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof | BEBETTER MED INC. (CN) | 2022-03-08 | — | — | US | disclosed |
| US-20200331891-A9 | 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF | GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) | 2020-10-22 | — | — | US | disclosed |
| US-20200165227-A1 | 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF | GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) | 2020-05-28 | — | — | US | disclosed |
| EP-3345900-A1 | 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF | Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) | 2018-07-11 | — | — | EP | disclosed |
| US-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| US-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| US-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| EP-2673269-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | 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 (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-20200331891-A9 | 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF | EGFR, ERBB2, KRAS | ALDH1A1 3575/4885HDAC1 4782/4885KEAP1 4125/4885 |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | PIK3CA, PIK3CD, AKT3 | ALDH1A1 1680/4885HDAC1 698/4885KEAP1 848/4885 |
| US-20200165227-A1 | 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF | EGFR, ERBB2, KRAS | ALDH1A1 3575/4885HDAC1 4782/4885KEAP1 4125/4885 |
| US-11267802-B2 | 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof | EGFR, ERBB2, KRAS | ALDH1A1 3575/4885HDAC1 4782/4885KEAP1 4125/4885 |
“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.