Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WHR1 | P49842 | 1/20 | 0.50 |
| ▸ | EHMT2 | Q96KQ7 | 5/20 | 0.47 |
| ▸ | CCR4 | P51679 | 9/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2170814 | 0.90 | WHR1 (0.45) | WHR1EHMT2ADRA2AADRA2BADRA2C | |
| SCHEMBL2171720 | 0.88 | WHR1 (0.42) | WHR1EHMT2ADRA2AADRA2BADRA2C | |
| SCHEMBL2170933 | 0.87 | WHR1 (0.50) | WHR1EHMT2ADRA2AADRA2BADRA2C | |
| SCHEMBL13333129 | 0.87 | ADRA1A (0.45) | WHR1EHMT2ADRA2AADRA2BADRA2C | |
| SCHEMBL14715446 | 0.86 | WHR1 (0.49) | WHR1EHMT2CCR4ADRA2AADRA2B | |
| SCHEMBL2172355 | 0.86 | EHMT2 (0.49) | WHR1EHMT2ADRA1DADRA1AADRA1B | |
| SCHEMBL2170821 | 0.84 | PDE10A (0.44) | WHR1 | |
| SCHEMBL2171036 | 0.84 | EHMT2 (0.46) | WHR1EHMT2 | |
| SCHEMBL13333113 | 0.84 | ADRA1A (0.43) | WHR1EHMT2ADRA2AADRA2BADRA2C | |
| SCHEMBL2170894 | 0.84 | WHR1 (0.49) | WHR1ADRA2AADRA2BADRA2CADRA1D |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102216283-B | Quinazoline derivatives as NK3 receptor antagonists | HOFFMANN LA ROCHE | 2013-11-27 | — | — | CN | claimed |
| EP-2346848-B1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | claimed |
| US-8318749-B2 | Quinazoline derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-11-27 | — | — | US | claimed |
| CN-102216283-A | Quinazoline derivatives as NK3 receptor antagonists | HOFFMANN LA ROCHE | 2011-10-12 | — | — | CN | claimed |
| EP-2346848-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-07-27 | — | — | EP | claimed |
| WO-2010054968-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | claimed |
| US-20100125078-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-05-20 | — | — | US | claimed |
| CN-102216283-B | Quinazoline derivatives as NK3 receptor antagonists | HOFFMANN LA ROCHE | 2013-11-27 | — | — | CN | disclosed |
| EP-2346848-B1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | disclosed |
| US-8318749-B2 | Quinazoline derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-11-27 | — | — | US | disclosed |
| US-8318749-B2 | Quinazoline derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-11-27 | — | — | US | disclosed |
| US-8318749-B2 | Quinazoline derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-11-27 | — | — | US | disclosed |
| CN-102216283-A | Quinazoline derivatives as NK3 receptor antagonists | HOFFMANN LA ROCHE | 2011-10-12 | — | — | CN | disclosed |
| EP-2346848-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-07-27 | — | — | EP | disclosed |
| US-20100125078-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-05-20 | — | — | US | disclosed |
| US-20100125078-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-05-20 | — | — | US | disclosed |
| US-20100125078-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-05-20 | — | — | US | disclosed |
| WO-2010054968-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | 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-20100125078-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | SLC6A3, OPRK1, HTR3A | WHR1 4280/4885EHMT2 3673/4885CCR4 2953/4885 |
“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.