Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | AGPAT2 | O15120 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5257629 | 0.78 | NR1I2 (0.56) | CTSKNR1I2AHRKDM4EPOLB | |
| SCHEMBL4846768 | 0.74 | NPC1 (0.49) | CTSKNR1I2AHRNPC1RAB9A | |
| SCHEMBL5259971 | 0.74 | KDM4E (0.42) | CTSKNPC1RAB9ACTSLAGPAT2 | |
| SCHEMBL3926841 | 0.72 | CTSK (0.79) | CTSKCTSLKDM4E | |
| SCHEMBL4848961 | 0.71 | NPC1 (0.51) | CTSKNPC1RAB9ACTSL | |
| SCHEMBL4838855 | 0.70 | NPC1 (0.77) | CTSKNPC1RAB9ACTSL | |
| SCHEMBL28255592 | 0.68 | MAPT (0.45) | NR1I2AHRNPC1CYP1A2CYP3A4 | |
| SCHEMBL5252848 | 0.68 | ALDH1A1 (0.41) | NPC1RAB9AAGPAT2KDM4EPOLB | |
| SCHEMBL4849083 | 0.67 | CTSL (0.45) | CTSKNPC1CTSL | |
| SCHEMBL5236485 | 0.66 | KDR (0.51) | NR1I2AHRNPC1CYP1A2CYP3A4 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532121-B1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-02-14 | — | — | EP | claimed |
| US-7125881-B2 | Use of pyrimidine—or triazine—2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives | ASTRAZENECA AB (SE) | 2006-10-24 | — | — | US | claimed |
| US-20050222152-A1 | New use of pyrimidine - or triazine - 2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives | ASTRAZENECA AB (SE) | 2005-10-06 | — | — | US | claimed |
| EP-1532121-A1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | AstraZeneca AB (SE) | 2005-05-25 | — | — | EP | claimed |
| WO-2004000819-A1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | 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-1532121-B1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-02-14 | — | — | EP | 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-7125881-B2 | Use of pyrimidine—or triazine—2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives | ASTRAZENECA AB (SE) | 2006-10-24 | — | — | US | disclosed |
| US-20050222152-A1 | New use of pyrimidine - or triazine - 2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives | ASTRAZENECA AB (SE) | 2005-10-06 | — | — | US | 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 |
| EP-1532121-A1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | 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 |
| WO-2004000819-A1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | 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 (4 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-20050222152-A1 | New use of pyrimidine - or triazine - 2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives | CTSS, CTSZ, CTSE | CTSK 6/4885NR1I2 3000/4885AHR 3293/4885 |
| 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 4/4885NR1I2 3323/4885AHR 1905/4885 |
| US-20080125426-A1 | Novel Compounds | CTSS, CTSB, CTSF | CTSK 8/4885NR1I2 4050/4885AHR 3901/4885 |
| 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 4/4885NR1I2 1301/4885AHR 3149/4885 |
“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.