Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | F2R | P25116 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 4/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16713304 | 0.91 | TSHR (0.56) | TSHRALDH1A1HSD17B10PDK2KDM4E | |
| SCHEMBL16673206 | 0.86 | PDK2 (0.50) | TSHRALDH1A1HSD17B10PDK2F2R | |
| SCHEMBL22979904 | 0.86 | TSHR (0.57) | TSHRALDH1A1HSD17B10PDK2KDM4E | |
| SCHEMBL8890849 | 0.86 | ALDH1A1 (0.51) | TSHRALDH1A1HSD17B10PDK2F2R | |
| SCHEMBL16672512 | 0.85 | PDK2 (0.49) | TSHRALDH1A1HSD17B10PDK2F2R | |
| SCHEMBL2499425 | 0.84 | CYP11B1 (0.46) | TSHRALDH1A1F2RLMNAKCNK3 | |
| SCHEMBL16672921 | 0.84 | PDK2 (0.48) | TSHRALDH1A1HSD17B10PDK2LMNA | |
| SCHEMBL16672703 | 0.84 | PDK2 (0.48) | TSHRALDH1A1HSD17B10PDK2F2R | |
| SCHEMBL22979272 | 0.83 | TSHR (0.50) | TSHRALDH1A1HSD17B10PDK2KDM4E | |
| SCHEMBL22979527 | 0.83 | TSHR (0.50) | TSHRALDH1A1HSD17B10KDM4ELMNA |
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-2282999-B1 | AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-05-21 | — | — | EP | disclosed |
| US-8415353-B2 | Amino-quinoxaline and amino-quinoline compounds for use as adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-04-09 | — | — | US | disclosed |
| US-20110105513-A1 | AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-05-05 | — | — | US | disclosed |
| EP-2282999-A1 | AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | Schering Corporation (US) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009111442-A1 | AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2009-09-11 | — | — | WO | disclosed |
| EP-1599464-A2 | NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS | Aventis Pharma S.A. (FR) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004070050-A2 | CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2004-08-19 | — | — | 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-20110105513-A1 | AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | ADORA2A, ADORA1, ADORA3 | TSHR 500/4885ALDH1A1 855/4885HSD17B10 3665/4885 |
“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.