Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 2/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | NEK2 | P51955 | 1/20 | 0.39 |
| ▸ | MAPK15 | Q8TD08 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | MELK | Q14680 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2805911 | 0.94 | TTK (0.45) | TTKMAPK8PARP1CHEK1FGFR1 | |
| Trifluoroacetic Acid SCHEMBL2490575 | 0.84 | MAP2K4 (0.42) | TTKMAPK8PARP1CHEK1FGFR1 | |
| SCHEMBL2804970 | 0.77 | MAP2K4 (0.47) | TTKMAPK8PARP1CHEK1FGFR1 | |
| SCHEMBL12315721 | 0.77 | HTR7 (0.49) | — | |
| Hydrochloric Acid SCHEMBL2486184 | 0.76 | HTR7 (0.48) | — | |
| Trifluoroacetic Acid SCHEMBL2485470 | 0.74 | ATR (0.31) | — | |
| SCHEMBL2486503 | 0.74 | MKNK1 (0.41) | TTKMAPK8PARP1LRRK2PDE5A | |
| Trifluoroacetic Acid SCHEMBL2111967 | 0.70 | NPC1 (0.43) | NPC1TSHRRAB9ASMN1; SMN2NQO2 | |
| Trifluoroacetic Acid SCHEMBL3278005 | 0.70 | SSTR4 (0.42) | NPC1TSHRRAB9ASMN1; SMN2NQO2 | |
| SCHEMBL2804159 | 0.68 | TRPV1 (0.49) | NPC1RAB9ASMN1; SMN2MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8263610-B2 | Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds | ARQULE, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| EP-2379551-A1 | SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS | ArQule, Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| US-20100239526-A1 | SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS | ARQULE, INC. (US) | 2010-09-23 | — | — | US | disclosed |
| WO-2010078427-A1 | SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS | ARQULE, INC. (US) | 2010-07-08 | — | — | 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 (1 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-20100239526-A1 | SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS | NQO1, IDH3B, IDH1 | TTK 3440/4885MAPK8 2818/4885PARP1 564/4885 |
“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.