Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4101516 | 0.95 | TSHR (0.58) | TSHRALDH1A1NPSR1CHRM1LMNA | |
| SCHEMBL1764027 | 0.86 | MEN1 (0.48) | TSHRALDH1A1NPSR1LMNAGSK3B | |
| SCHEMBL1764680 | 0.85 | TSHR (0.53) | TSHRALDH1A1NPSR1CHRM1LMNA | |
| SCHEMBL8008759 | 0.84 | TSHR (0.55) | TSHRALDH1A1NPSR1CHRM1LMNA | |
| SCHEMBL4327026 | 0.81 | NPSR1 (0.49) | TSHRALDH1A1NPSR1CHRM1LMNA | |
| SCHEMBL12963502 | 0.80 | NPSR1 (0.60) | TSHRALDH1A1NPSR1CHRM1LMNA | |
| SCHEMBL11821877 | 0.80 | CYP2D6 (0.62) | TSHRALDH1A1NPSR1CHRM1LMNA | |
| SCHEMBL7366310 | 0.77 | TSHR (0.78) | TSHRALDH1A1NPSR1LMNAGFER | |
| SCHEMBL7269755 | 0.77 | MEN1 (0.63) | TSHRALDH1A1NPSR1CHRM1LMNA | |
| SCHEMBL21169559 | 0.77 | TSHR (0.53) | TSHRALDH1A1NPSR1CHRM1LMNA |
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 8 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 |
| EP-1751116-A2 | PYRIMIDINE COMPOUNDS AND USE THEREOF | Abbott GmbH & Co. KG (DE) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005118558-A2 | PYRIMIDINE COMPOUNDS AND USE THEREOF | ABBOTT GMBH & CO. KG (DE) | 2005-12-15 | — | — | 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 (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 | TSHR 28/4885ALDH1A1 710/4885NPSR1 278/4885 |
| US-20110118232-A1 | PYRIMIDINE COMPOUNDS AND USE THEREOF | CRHR1, CRHR2, MC2R | TSHR 26/4885ALDH1A1 2695/4885NPSR1 58/4885 |
“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.