Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.60 |
| ▸ | CCR2 | P41597 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3562916 | 0.98 | SIGMAR1 (0.59) | SIGMAR1CCR2ALDH1A1LTA4HPTGS1 | |
| SCHEMBL3561190 | 0.88 | LMNA (0.53) | SIGMAR1CCR2ALDH1A1KDM1AESR2 | |
| SCHEMBL2375260 | 0.85 | SIGMAR1 (0.46) | SIGMAR1ALDH1A1HRH3KDM1ACHRM1 | |
| SCHEMBL4928468 | 0.82 | SIGMAR1 (0.58) | SIGMAR1CCR2HRH3KDM1A | |
| SCHEMBL6420983 | 0.82 | SIGMAR1 (0.49) | SIGMAR1CCR2ALDH1A1HRH3CHRM1 | |
| SCHEMBL11144109 | 0.81 | SIGMAR1 (0.57) | SIGMAR1CCR2HRH3KDM1A | |
| SCHEMBL23160689 | 0.80 | S100B (0.45) | SIGMAR1CCR2HRH3ESR1ESR2 | |
| SCHEMBL6648423 | 0.79 | HRH3 (0.51) | SIGMAR1CCR2LTA4HHRH3ESR1 | |
| SCHEMBL2156764 | 0.79 | ALDH1A1 (0.55) | SIGMAR1ALDH1A1LTA4HPTGS1PTGS2 | |
| SCHEMBL2377649 | 0.79 | LMNA (0.50) | SIGMAR1ALDH1A1KDM1AESR2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111566100-B | Pyrimidine compound, preparation method and medical application thereof | 恩瑞生物医药科技（上海）有限公司 | 2023-10-27 | — | — | CN | disclosed |
| US-20210101881-A1 | PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF | ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) | 2021-04-08 | — | — | US | disclosed |
| CN-111566100-A | Pyrimidine compound, preparation method and medical application thereof | 恩瑞生物医药科技（上海）有限公司 | 2020-08-21 | — | — | CN | disclosed |
| WO-2019154177-A1 | PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF | 恩瑞生物医药科技（上海）有限公司 | 2019-08-15 | — | — | WO | disclosed |
| US-7713994-B2 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof | WYETH LLC (US) | 2010-05-11 | — | — | US | disclosed |
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| US-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | WYETH (US) | 2008-04-10 | — | — | US | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | 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 (2 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-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | SULT1E1, RECQL, HAX1 | SIGMAR1 636/4885CCR2 1789/4885ALDH1A1 61/4885 |
| US-20210101881-A1 | PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF | CDK9, CDK19, CDK6 | SIGMAR1 4783/4885CCR2 2651/4885ALDH1A1 1509/4885 |
“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.