Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
| ▸ | FPR3 | P25089 | 3/20 | 0.33 |
| ▸ | FPR2 | P25090 | 3/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 4/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3570604 | 1.00 | CDK4 (0.39) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL13344041 | 1.00 | CDK4 (0.39) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL3570005 | 0.94 | CDK4 (0.37) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL3570011 | 0.94 | CDK4 (0.37) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL4751197 | 0.93 | SIGMAR1 (0.39) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL3561264 | 0.93 | SIGMAR1 (0.39) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL3561270 | 0.93 | SIGMAR1 (0.39) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL3566383 | 0.91 | PAK1 (0.41) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL3566378 | 0.91 | PAK1 (0.41) | CDK4CCND1CDK2KDM1APAK1 | |
| SCHEMBL13344043 | 0.91 | PAK1 (0.41) | CDK4CCND1CDK2KDM1APAK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 | claimed |
| 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 (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-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 | CDK4 529/4885CCND1 166/4885CDK2 283/4885 |
“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.