Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | PFKFB3 | Q16875 | 2/20 | 0.39 |
| ▸ | PFKFB4 | Q16877 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22320232 | 0.83 | ROCK1 (0.46) | ROCK1CYP2A6NPSR1L3MBTL1MAPT | |
| SCHEMBL8299998 | 0.83 | ROCK1 (0.46) | ROCK1CYP2A6NPSR1L3MBTL1MAPT | |
| SCHEMBL13197121 | 0.81 | TRPA1 (0.34) | ROCK1CYP2A6NPSR1L3MBTL1PIM1 | |
| SCHEMBL7567350 | 0.79 | ROCK1 (0.44) | ROCK1CYP2A6NPSR1L3MBTL1MAPT | |
| SCHEMBL12922998 | 0.79 | SMN1; SMN2 (0.38) | ROCK1MAPTKDM4EPFKFB3 | |
| SCHEMBL12248513 | 0.79 | ICAM1 (0.42) | ROCK1L3MBTL1MAPTPFKFB3 | |
| SCHEMBL12869982 | 0.79 | CYP17A1 (0.44) | PFKFB4CMA1 | |
| SCHEMBL5250330 | 0.78 | ROCK1 (0.43) | ROCK1CYP2A6NPSR1L3MBTL1MAPT | |
| SCHEMBL8295552 | 0.77 | ROCK1 (0.56) | ROCK1CYP2A6NPSR1L3MBTL1MAPT | |
| SCHEMBL12954833 | 0.74 | ROCK1 (0.53) | ROCK1CYP2A6NPSR1L3MBTL1MAPT |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200288710-A1 | SUBSTITUTED SULPHONAMIDES FOR CONTROLLING ANIMAL PESTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-09-17 | — | — | US | disclosed |
| US-RE47415-E1 | Pyrimidinecarboxamides as CXCR2 modulators | SYNTRIX BIOSYSTEMS, INC. (US) | 2019-06-04 | — | — | US | disclosed |
| US-RE47267-E1 | Pyridinecarboxamides as CXCR2 modulators | SYNTRIX BIOSYSTEMS, INC. (US) | 2019-03-05 | — | — | US | disclosed |
| US-8981106-B2 | Pyrimidinecarboxamides as CXCR2 modulators | SYNTRIX BIOSYSTEMS, INC. (US) | 2015-03-17 | — | — | US | disclosed |
| US-20140206647-A1 | PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS | SYNTRIX BIOSYSTEMS, INC. (US) | 2014-07-24 | — | — | US | disclosed |
| US-8748623-B2 | Pyridinecarboxamides as CXCR2 modulators | SYNTRIX BIOSYSTEMS, INC. (US) | 2014-06-10 | — | — | US | disclosed |
| EP-2007729-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | ESTEVE LABOR DR (ES) | 2012-06-27 | — | — | EP | disclosed |
| US-20100210593-A1 | Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators | SYNTRIX BIOSYSTEMS, INC. (US) | 2010-08-19 | — | — | US | disclosed |
| US-20090209528-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-08-20 | — | — | US | disclosed |
| US-20090209528-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-08-20 | — | — | US | disclosed |
| US-20080015190-A1 | Inhibitors of Histone Deacetylase | MERCK SHARP & DOHME CORP. | 2008-01-17 | — | — | US | disclosed |
| US-7166603-B2 | Dihydropyrimidone inhibitors of calcium channel function | BRISTOL-MYERS SQUIBB CO. (US) | 2007-01-23 | — | — | US | disclosed |
| US-7166603-B2 | Dihydropyrimidone inhibitors of calcium channel function | BRISTOL-MYERS SQUIBB CO. (US) | 2007-01-23 | — | — | US | disclosed |
| WO-2005009392-A2 | DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-02-03 | — | — | 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 (5 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-20140206647-A1 | PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS | CXCR2, CXCR1, CXCR3 | ROCK1 3967/4885CYP2A6 2349/4885NPSR1 415/4885 |
| US-20100210593-A1 | Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators | CXCR2, CXCR1, CXCR3 | ROCK1 3427/4885CYP2A6 2140/4885NPSR1 302/4885 |
| US-20090209528-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS | HTR6, HTR5A, HTR7 | ROCK1 4384/4885CYP2A6 26/4885NPSR1 156/4885 |
| US-20080015190-A1 | Inhibitors of Histone Deacetylase | HDAC5, HDAC1, HDAC4 | ROCK1 933/4885CYP2A6 2045/4885NPSR1 2063/4885 |
| US-20200288710-A1 | SUBSTITUTED SULPHONAMIDES FOR CONTROLLING ANIMAL PESTS | DDT, MPST, STOM | ROCK1 4667/4885CYP2A6 763/4885NPSR1 814/4885 |
“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.