Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | CCR2 | P41597 | 1/20 | 0.48 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2232165 | 1.00 | CXCR4 (0.59) | CXCR4HRH3TSHRLTA4HMEN1 | |
| Hydrochloric Acid SCHEMBL2233324 | 0.99 | CXCR4 (0.58) | CXCR4HRH3TSHRLTA4HMEN1 | |
| Hydrochloric Acid SCHEMBL2234356 | 0.92 | CXCR4 (0.57) | CXCR4HRH3TSHRLTA4HMEN1 | |
| Hydrochloric Acid SCHEMBL2234520 | 0.92 | CXCR4 (0.62) | CXCR4HRH3TSHRLTA4HMEN1 | |
| SCHEMBL2294267 | 0.89 | SIGMAR1 (0.54) | HRH3TSHRLTA4HSIGMAR1 | |
| SCHEMBL2236728 | 0.89 | SIGMAR1 (0.54) | HRH3TSHRLTA4HSIGMAR1 | |
| SCHEMBL2231797 | 0.89 | TSHR (0.54) | CXCR4HRH3TSHRLTA4HMEN1 | |
| SCHEMBL2231202 | 0.87 | DRD2 (0.53) | CXCR4HRH3TSHRLTA4HMEN1 | |
| SCHEMBL2233553 | 0.87 | LTA4H (0.50) | CXCR4HRH3TSHRLTA4HMEN1 | |
| Hydrochloric Acid SCHEMBL2232935 | 0.86 | CXCR4 (0.50) | CXCR4HRH3TSHRMEN1CHRM2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2528897-B9 | DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMA CO LTD (JP) | 2015-04-22 | — | — | EP | disclosed |
| EP-2528897-B1 | DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMA CO LTD (JP) | 2014-10-15 | — | — | EP | disclosed |
| US-8722663-B2 | Di-substituted pyridine derivatives as anticancers | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2014-05-13 | — | — | US | disclosed |
| EP-2528897-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | Otsuka Pharmaceutical Co., Ltd. (JP) | 2012-12-05 | — | — | EP | disclosed |
| US-20120283242-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-11-08 | — | — | US | disclosed |
| WO-2011093524-A9 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-12-01 | — | — | WO | disclosed |
| WO-2011093524-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-04 | — | — | 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-20120283242-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | TPD52L2, CCNE2, CDK2 | CXCR4 1153/4885HRH3 663/4885TSHR 2665/4885 |
“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.