Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 17/20 | 0.67 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | UGT1A4 | P22310 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17159812 | 0.90 | CYP19A1 (0.80) | CYP19A1HDAC1HDAC6UGT1A4PDE4D | |
| SCHEMBL15688800 | 0.84 | CYP19A1 (0.71) | CYP19A1HDAC1HDAC6 | |
| SCHEMBL3235365 | 0.82 | CYP19A1 (0.69) | CYP19A1HDAC1HDAC6 | |
| SCHEMBL11354103 | 0.82 | CYP19A1 (0.69) | CYP19A1HDAC1HDAC6 | |
| SCHEMBL309621 | 0.81 | CYP19A1 (0.67) | CYP19A1HDAC1HDAC6UGT1A4PDE4D | |
| SCHEMBL307542 | 0.81 | CYP19A1 (0.67) | CYP19A1HDAC1HDAC6 | |
| Hydrochloric Acid SCHEMBL11358575 | 0.81 | CYP19A1 (0.67) | CYP19A1HDAC1HDAC6 | |
| SCHEMBL306232 | 0.81 | CYP19A1 (0.67) | CYP19A1HDAC1HDAC6UGT1A4PDE4D | |
| SCHEMBL3319920 | 0.81 | CYP19A1 (0.67) | CYP19A1HDAC1HDAC6 | |
| SCHEMBL3318872 | 0.81 | CYP19A1 (0.67) | CYP19A1HDAC1HDAC6UGT1A4PDE4D |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | claimed |
| US-8501754-B2 | Quinazolinamide derivatives | MERCK PATENT GMBH (DE) | 2013-08-06 | — | — | US | claimed |
| US-20100234324-A1 | Quinazolinamide derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2010-09-16 | — | — | US | claimed |
| EP-2164833-A2 | QUINAZOLINAMIDE DERIVATIVES | Merck Patent GmbH (DE) | 2010-03-24 | — | — | EP | claimed |
| WO-2009010139-A2 | QUINAZOLINAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2009-01-22 | — | — | WO | claimed |
| EP-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | disclosed |
| CN-101743229-B | Quinazolinamide derivatives | MERCK PATENT GMBH | 2013-08-14 | — | — | CN | disclosed |
| US-8501754-B2 | Quinazolinamide derivatives | MERCK PATENT GMBH (DE) | 2013-08-06 | — | — | US | disclosed |
| US-7820818-B2 | Heteroaryl nitrile derivatives | NOVARTIS AG (CH) | 2010-10-26 | — | — | US | disclosed |
| US-20100234324-A1 | Quinazolinamide derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2010-09-16 | — | — | US | disclosed |
| CN-101743229-A | quinazolinamide derivatives | MERCK PATENT GMBH | 2010-06-16 | — | — | CN | disclosed |
| EP-2164833-A2 | QUINAZOLINAMIDE DERIVATIVES | Merck Patent GmbH (DE) | 2010-03-24 | — | — | EP | disclosed |
| US-20090227596-A1 | HETEROARYL NITRILE DERIVATIVES | NOVARTIS AG (CH) | 2009-09-10 | — | — | US | disclosed |
| US-7544688-B2 | Hetereoaryl nitrile derivatives | NOVARTIS AG (CH) | 2009-06-09 | — | — | US | disclosed |
| WO-2009010139-A2 | QUINAZOLINAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2009-01-22 | — | — | WO | disclosed |
| EP-1537111-B1 | HETEREOARYL NITRILE DERIVATIVES | NOVARTIS AG (CH) | 2007-05-02 | — | — | EP | disclosed |
| US-20060142575-A1 | Hetereoaryl nitrile derivatives | NOVARTIS AG (CH) | 2006-06-29 | — | — | US | disclosed |
| EP-1537111-A1 | HETEREOARYL NITRILE DERIVATIVES | Novartis AG (CH) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004020441-A1 | HETEREOARYL NITRILE DERIVATIVES | NOVARTIS AG (CH) | 2004-03-11 | — | — | 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 (3 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-20090227596-A1 | HETEROARYL NITRILE DERIVATIVES | CTSK, CTSS, CTSZ | CYP19A1 168/4885HDAC1 325/4885HDAC6 230/4885 |
| US-20060142575-A1 | Hetereoaryl nitrile derivatives | CTSK, CTSZ, CTSE | CYP19A1 239/4885HDAC1 299/4885HDAC6 138/4885 |
| US-20100234324-A1 | Quinazolinamide derivatives | HSP90AB1, HSP90AA1, HSP90AB2P | CYP19A1 1951/4885HDAC1 118/4885HDAC6 40/4885 |
“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.