Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 5/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | CNR2 | P34972 | 4/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | ROS1 | P08922 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1768098 | 0.85 | ALDH1A1 (0.41) | IDO1TDO2ALDH1A1TGM2CES1 | |
| SCHEMBL1767895 | 0.79 | CES1 (0.38) | IDO1TDO2ALDH1A1TGM2CES1 | |
| SCHEMBL9113250 | 0.75 | CA12 (0.50) | IDO1TDO2ALDH1A1TGM2CES1 | |
| SCHEMBL30541907 | 0.75 | TGM2 (0.55) | ALDH1A1TGM2CES1CASP3MAOA | |
| SCHEMBL1247409 | 0.75 | TGM2 (0.55) | ALDH1A1TGM2CES1CASP3MAOA | |
| Hydrochloric Acid SCHEMBL11430193 | 0.74 | CA12 (0.49) | IDO1TDO2ALDH1A1TGM2CES1 | |
| SCHEMBL10228098 | 0.74 | CNR2 (0.51) | CNR2RORC | |
| SCHEMBL6279399 | 0.73 | CNR2 (0.58) | CNR2RORC | |
| SCHEMBL12273071 | 0.73 | TGM2 (0.56) | IDO1TDO2ALDH1A1TGM2CES1 | |
| SCHEMBL9423122 | 0.72 | MAOB (0.47) | ALDH1A1CNR2MAOB |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8906930-B2 | Quinazoline derivatives | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| US-8906930-B2 | Quinazoline derivatives | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| US-8906930-B2 | Quinazoline derivatives | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| EP-2504314-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2012-10-03 | — | — | EP | disclosed |
| US-20120238582-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-09-20 | — | — | US | disclosed |
| US-20120238582-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-09-20 | — | — | US | disclosed |
| US-20120238582-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-09-20 | — | — | US | disclosed |
| CN-102648178-A | Quinazoline derivatives | MERCK PATENT GMBH | 2012-08-22 | — | — | CN | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | 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-20120238582-A1 | QUINAZOLINE DERIVATIVES | HSP90AB1, HSP90AA1, HSP90B1 | IDO1 3224/4885TDO2 3452/4885ALDH1A1 2248/4885 |
“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.