Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 5/20 | 0.40 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | CTSL | P07711 | 3/20 | 0.40 |
| ▸ | CTSV | O60911 | 1/20 | 0.40 |
| ▸ | CTSH | P09668 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
| ▸ | CTSZ | Q9UBR2 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.38 |
| ▸ | CASP7 | P55210 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4848305 | 0.88 | XDH (0.42) | XDHCASP1CTSKCTSLCTSV | |
| SCHEMBL4839965 | 0.87 | XDH (0.45) | XDHCASP1CTSLLMNAMAPT | |
| SCHEMBL4846172 | 0.79 | CTSL (0.41) | XDHCTSKCTSLCTSSL3MBTL1 | |
| SCHEMBL4839591 | 0.78 | HTR3E (0.43) | XDHCTSKCTSLCTSS | |
| SCHEMBL4847924 | 0.78 | PRKDC (0.45) | XDHCTSKCTSLCTSSPRKDC | |
| SCHEMBL4846208 | 0.78 | CTSK (0.45) | CTSKCTSLCTSSPRKDCLMNA | |
| SCHEMBL4846408 | 0.78 | CTSK (0.48) | XDHCTSKCTSLCTSSPRKDC | |
| SCHEMBL4847912 | 0.77 | XDH (0.41) | XDHCASP1CTSKCTSLCTSV | |
| SCHEMBL4848132 | 0.76 | PRKDC (0.41) | CTSKCTSLCTSSPRKDCKDM4E | |
| SCHEMBL4845208 | 0.75 | XDH (0.39) | XDHCTSSLMNAMAPTTP53 |
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 | XDH 1254/4885CASP1 60/4885CTSK 4/4885 |
| US-20080125426-A1 | Novel Compounds | CTSS, CTSB, CTSF | XDH 1970/4885CASP1 274/4885CTSK 8/4885 |
| 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 | XDH 2029/4885CASP1 332/4885CTSK 4/4885 |
“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.