Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.48 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.44 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4839965 | 0.90 | XDH (0.45) | CTSLMAPTALDH1A1KDM4EHTT | |
| SCHEMBL4847924 | 0.86 | PRKDC (0.45) | CTSKCTSLCTSSALDH1A1KDM4E | |
| SCHEMBL4846208 | 0.85 | CTSK (0.45) | CTSKCTSLCTSSMAPTALDH1A1 | |
| SCHEMBL4848132 | 0.84 | PRKDC (0.41) | CTSKCTSLCTSSKDM4EPIK3CA | |
| SCHEMBL4848945 | 0.81 | CSNK1E (0.47) | CTSKCTSLCTSSCSNK1DCSNK1E | |
| SCHEMBL4848260 | 0.78 | XDH (0.44) | CTSKMAPTALDH1A1KDM4ELMNA | |
| SCHEMBL4847899 | 0.78 | XDH (0.42) | CTSKCTSLCTSSMAPTALDH1A1 | |
| SCHEMBL4840336 | 0.76 | CTSK (0.43) | CTSKMAPTALDH1A1KDM4EHTT | |
| SCHEMBL4848305 | 0.76 | XDH (0.42) | CTSKCTSLCTSSMAPTALDH1A1 | |
| SCHEMBL4847871 | 0.75 | CLK1 (0.51) | CTSKCTSLCTSBCTSSMAPT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7439240-B2 | Purine-or pyrrolol[2,3-d]pyrimidine-2-carbonitiles for treating diseases associated with cysteine protease activity | ASTRAZENECA AB (SE) | 2008-10-21 | — | — | US | claimed |
| EP-1532148-B1 | NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY | ASTRAZENECA AB (SE) | 2007-01-17 | — | — | EP | claimed |
| US-20050203107-A1 | Reversible inhibitors of cysteine proteases S, K, F, L and B; inhibiting Cathepsin S; analgesics; 1-[9-(4-Chlorophenyl)-2-cyano-9H-purin-6-yl]-L-prolinamide for example | ASTRAZENECA AB (SE) | 2005-09-15 | — | — | US | claimed |
| EP-1532148-A1 | NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY | AstraZeneca AB (SE) | 2005-05-25 | — | — | EP | claimed |
| WO-2004000843-A1 | NOVEL PURINE- OR PYRROLOL[2,3-d]PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY | ASTRAZENECA AB (SE) | 2003-12-31 | — | — | WO | claimed |
| US-7439240-B2 | Purine-or pyrrolol[2,3-d]pyrimidine-2-carbonitiles for treating diseases associated with cysteine protease activity | ASTRAZENECA AB (SE) | 2008-10-21 | — | — | US | disclosed |
| US-20080125426-A1 | Novel Compounds | ASTRAZENECA AB (SE) | 2008-05-29 | — | — | US | disclosed |
| US-20080119469-A1 | 1-(4-methylphenyl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidine-6-carbonitrile; reversible inhibitors of cysteine proteases S, K, F, L, B; diseases associated with Cathepsin S; antiinflammatory agent, autoimmune diseases; asthma, rheumatoid arthritis, multiple sclerosis, Crohn's, Alzheimer's diseases | ASTRAZENECA AB (SE) | 2008-05-22 | — | — | US | disclosed |
| EP-1532148-B1 | NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY | ASTRAZENECA AB (SE) | 2007-01-17 | — | — | EP | disclosed |
| US-20050203107-A1 | Reversible inhibitors of cysteine proteases S, K, F, L and B; inhibiting Cathepsin S; analgesics; 1-[9-(4-Chlorophenyl)-2-cyano-9H-purin-6-yl]-L-prolinamide for example | ASTRAZENECA AB (SE) | 2005-09-15 | — | — | US | disclosed |
| EP-1532148-A1 | NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY | AstraZeneca AB (SE) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004000843-A1 | NOVEL PURINE- OR PYRROLOL[2,3-d]PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY | ASTRAZENECA AB (SE) | 2003-12-31 | — | — | 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-20080119469-A1 | 1-(4-methylphenyl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidine-6-carbonitrile; reversible inhibitors of cysteine proteases S, K, F, L, B; diseases associated with Cathepsin S; antiinflammatory agent, autoimmune diseases; asthma, rheumatoid arthritis, multiple sclerosis, Crohn's, Alzheimer's diseases | CTSS, CTSB, CTSL | CTSK 4/4885CTSL 3/4885CTSB 2/4885 |
| US-20080125426-A1 | Novel Compounds | CTSS, CTSB, CTSF | CTSK 8/4885CTSL 4/4885CTSB 2/4885 |
| US-20050203107-A1 | Reversible inhibitors of cysteine proteases S, K, F, L and B; inhibiting Cathepsin S; analgesics; 1-[9-(4-Chlorophenyl)-2-cyano-9H-purin-6-yl]-L-prolinamide for example | CTSB, CTSL, CTSS | CTSK 4/4885CTSL 2/4885CTSB 1/4885 |
“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.