Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.77 |
| ▸ | CTSL | P07711 | 9/20 | 0.69 |
| ▸ | CTSB | P07858 | 2/20 | 0.69 |
| ▸ | CTSS | P25774 | 2/20 | 0.69 |
| ▸ | CTSC | P53634 | 2/20 | 0.69 |
| ▸ | CTSZ | Q9UBR2 | 2/20 | 0.69 |
| ▸ | KLK4 | Q9Y5K2 | 2/20 | 0.69 |
| ▸ | CTSV | O60911 | 1/20 | 0.69 |
| ▸ | CTSH | P09668 | 1/20 | 0.69 |
| ▸ | CTSK | P43235 | 1/20 | 0.69 |
| ▸ | CASP4 | P49662 | 1/20 | 0.69 |
| ▸ | MMP14 | P50281 | 1/20 | 0.69 |
| ▸ | BACE1 | P56817 | 1/20 | 0.69 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.69 |
| ▸ | SRC | P12931 | 2/20 | 0.56 |
| ▸ | ELANE | P08246 | 1/20 | 0.53 |
| ▸ | CMA1 | P23946 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CDK1 | P06493 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3380592 | 0.88 | NPC1 (0.76) | NPC1CTSLCTSBCTSSCTSC | |
| SCHEMBL3346901 | 0.87 | NPC1 (1.00) | NPC1CTSLCTSBCTSSCTSC | |
| SCHEMBL183315 | 0.84 | SRC (0.61) | NPC1SRCCDK1PRKCA | |
| SCHEMBL4848961 | 0.80 | NPC1 (0.51) | NPC1CTSLCTSBCTSSCTSC | |
| SCHEMBL4847263 | 0.80 | SRC (0.57) | NPC1CTSLCTSBCTSSCTSC | |
| SCHEMBL4846768 | 0.78 | NPC1 (0.49) | NPC1CTSLCTSBCTSSCTSC | |
| SCHEMBL4846744 | 0.78 | SRC (0.55) | NPC1SRCCDK1PRKCA | |
| SCHEMBL183265 | 0.75 | KCNN3 (0.76) | NPC1SRCCDK1PRKCA | |
| SCHEMBL5840144 | 0.75 | CDK1 (0.65) | NPC1CTSLCTSBCTSSCTSC | |
| SCHEMBL3379300 | 0.74 | YTHDC1 (0.60) | NPC1SRCCDK1PRKCA |
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 | NPC1 1391/4885CTSL 3/4885CTSB 2/4885 |
| US-20080125426-A1 | Novel Compounds | CTSS, CTSB, CTSF | NPC1 194/4885CTSL 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 | NPC1 443/4885CTSL 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.