Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 7/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12315754 | 0.87 | ALDH1A1 (0.34) | CYP3A4TSHR | |
| SCHEMBL2485351 | 0.86 | ALDH1A1 (0.36) | TSHRNAMPT | |
| Trifluoroacetic Acid SCHEMBL2487091 | 0.82 | DPP8 (0.35) | CYP3A4 | |
| SCHEMBL2487744 | 0.81 | ALDH1A1 (0.41) | CYP3A4TSHR | |
| SCHEMBL2803958 | 0.78 | ROCK2 (0.50) | CYP3A4 | |
| SCHEMBL2486063 | 0.78 | ROCK2 (0.37) | CYP3A4TSHR | |
| Trifluoroacetic Acid SCHEMBL2511751 | 0.76 | HAT1 (0.40) | TP53CYP3A4TSHRTDP1 | |
| SCHEMBL2802817 | 0.74 | NAMPT (0.53) | SMYD2PARP1NAMPT | |
| Trifluoroacetic Acid SCHEMBL2487366 | 0.74 | ROCK2 (0.46) | CYP3A4 | |
| SCHEMBL2486158 | 0.73 | CREBBP (0.36) | SMYD2CYP3A4TDP1 |
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 7 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 |
| US-8263610-B2 | Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds | ARQULE, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| US-8263610-B2 | Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds | ARQULE, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| US-20100239526-A1 | SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS | ARQULE, INC. (US) | 2010-09-23 | — | — | US | disclosed |
| US-20100239526-A1 | SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS | ARQULE, INC. (US) | 2010-09-23 | — | — | US | 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 | SMYD2 1884/4885TP53 14/4885CYP1A2 904/4885 |
“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.