Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | RARA | P10276 | 2/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | RARG | P13631 | 2/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 9/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 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 | |
|---|---|---|---|---|
| SCHEMBL1764037 | 0.89 | HDAC1 (0.47) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL6765782 | 0.88 | HDAC1 (0.46) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL6769021 | 0.88 | HDAC1 (0.46) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL6769139 | 0.88 | HDAC1 (0.46) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL4427655 | 0.88 | HDAC1 (0.46) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL6767431 | 0.81 | PTGDR2 (0.48) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL1764488 | 0.79 | HTR1A (0.44) | HDAC1HDAC6LMNAKMT2A | |
| SCHEMBL6770006 | 0.79 | HDAC1 (0.56) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL9202190 | 0.75 | HDAC1 (0.51) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL2231425 | 0.74 | HTR1A (0.36) | HDAC1HDAC6HDAC2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1751116-B1 | Pyrimidine compounds and use thereof in the treatment of central nervous system disorders | ABBOTT GMBH & CO KG (DE) | 2013-07-31 | — | — | EP | disclosed |
| US-8268815-B2 | Pyrimidine compounds and use thereof | ABBOTT GMBH & CO. KG (DE) | 2012-09-18 | — | — | US | disclosed |
| EP-2361908-A1 | Pyrimidine compounds useful for the treatment of CNS diseases | Abbott GmbH & Co. KG (DE) | 2011-08-31 | — | — | EP | disclosed |
| US-20110118232-A1 | PYRIMIDINE COMPOUNDS AND USE THEREOF | ABBOTT GMBH & CO. KG (DE) | 2011-05-19 | — | — | US | disclosed |
| US-7786105-B2 | Pyrimidine compounds and use thereof | ABBOTT GMBH & CO. KG (DE) | 2010-08-31 | — | — | US | disclosed |
| US-20080161322-A1 | e.g. 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride3,4-Dihydroquinolin-2(1H)-one; dopamine D3 receptor antagonists or agonists; antidepressant, schizophrenia, Parkinson's disease | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2008-07-03 | — | — | 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-20080161322-A1 | e.g. 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride3,4-Dihydroquinolin-2(1H)-one; dopamine D3 receptor antagonists or agonists; antidepressant, schizophrenia, Parkinson's disease | SLC6A3, GRM3, GPR3 | HDAC1 2568/4885HDAC6 2059/4885HDAC3 1189/4885 |
| US-20110118232-A1 | PYRIMIDINE COMPOUNDS AND USE THEREOF | CRHR1, CRHR2, MC2R | HDAC1 3654/4885HDAC6 3417/4885HDAC3 2193/4885 |
“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.