Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.53 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.53 |
| ▸ | NPEPPS | P55786 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12414420 | 0.91 | NPEPPS (0.48) | CCNB2CDK1CCNB1CCNB3NPEPPS | |
| SCHEMBL12414426 | 0.83 | NPEPPS (0.48) | NPEPPSADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL12506791 | 0.82 | NPEPPS (0.47) | CCNB2CDK1CCNB1CCNB3NPEPPS | |
| SCHEMBL12413945 | 0.82 | KDM4E (0.52) | NPEPPSADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL15849996 | 0.80 | NPEPPS (0.46) | CCNB2CDK1CCNB1CCNB3NPEPPS | |
| SCHEMBL12414622 | 0.80 | NPEPPS (0.46) | CCNB2CDK1CCNB1CCNB3NPEPPS | |
| SCHEMBL12506867 | 0.79 | HSP90AA1 (0.49) | CCNB2CDK1CCNB1CCNB3NPEPPS | |
| SCHEMBL15849992 | 0.79 | KDM4E (0.49) | NPEPPSADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL12414430 | 0.79 | MAPT (0.47) | NPEPPSALDH1A1SMN1; SMN2PKMCA12 | |
| SCHEMBL12505237 | 0.78 | NPEPPS (0.43) | CCNB2CDK1CCNB1CCNB3NPEPPS |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8765757-B2 | 3-heterocyclic substituted indole derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2014-07-01 | — | — | US | disclosed |
| US-8765757-B2 | 3-heterocyclic substituted indole derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2014-07-01 | — | — | US | disclosed |
| US-20110165118-A1 | 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION | 2011-07-07 | — | — | US | disclosed |
| US-20110165118-A1 | 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION | 2011-07-07 | — | — | 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 (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-20110165118-A1 | 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF | IDO1, IDO2, HTR3C | CCNB2 2279/4885CDK1 1569/4885CCNB1 2753/4885 |
“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.