Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | FAP | Q12884 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1458776 | 0.98 | EPHX2 (0.40) | EPHX2NPSR1SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL1459251 | 0.86 | EPHX1 (0.44) | EPHX2NPSR1SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL21089276 | 0.84 | EPHX1 (0.47) | EPHX2NPSR1SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL1203989 | 0.84 | POLB (0.46) | EPHX2HSD17B10KDM4EALDH1A1POLB | |
| SCHEMBL3988453 | 0.83 | POLB (0.48) | EPHX2NPSR1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL13846152 | 0.81 | SMN1; SMN2 (0.40) | EPHX2SMN1; SMN2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL1675868 | 0.80 | EPHX2 (0.40) | EPHX2NPSR1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL1560290 | 0.80 | EPHX2 (0.40) | EPHX2NPSR1KDM4EALDH1A1MEN1 | |
| SCHEMBL21088943 | 0.79 | EPHX1 (0.41) | EPHX2NPSR1SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL3546758 | 0.79 | EPHX2 (0.39) | EPHX2NPSR1KDM4EALDH1A1EPHX1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2480550-B1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2016-02-10 | — | — | EP | disclosed |
| US-20120271045-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-25 | — | — | US | disclosed |
| US-20120271045-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-25 | — | — | US | disclosed |
| WO-2011036566-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-31 | — | — | WO | disclosed |
| EP-2139892-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-01-06 | — | — | EP | disclosed |
| US-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| US-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| US-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| WO-2008113711-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-25 | — | — | WO | disclosed |
| WO-2008113711-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-25 | — | — | WO | disclosed |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-25 | — | — | US | disclosed |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-25 | — | — | US | disclosed |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-25 | — | — | 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 (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-20120271045-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | DCK, MAP3K5, MAP3K1 | EPHX2 2526/4885NPSR1 3471/4885SMN1; SMN2 3071/4885 |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | PLK1, CCNI, CDK1 | EPHX2 3993/4885NPSR1 2808/4885SMN1; SMN2 2224/4885 |
“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.