Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | BRS3 | P32247 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | DRD4 | P21917 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.43 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.43 |
| ▸ | CLPP | Q16740 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2803011 | 0.86 | FAAH (0.45) | MAP3K11ALDH1A1POLBACHE | |
| SCHEMBL31750384 | 0.81 | ABCB1 (0.50) | DHFRABCB1ABCC1ABCG2BRS3 | |
| SCHEMBL2489846 | 0.80 | ABCB1 (0.47) | DHFRABCB1ABCC1ABCG2DRD2 | |
| SCHEMBL2802910 | 0.77 | PKM (0.52) | ALDH1A1 | |
| SCHEMBL31749747 | 0.75 | ABCB1 (0.53) | DHFRABCB1ABCC1ABCG2BRS3 | |
| SCHEMBL2806833 | 0.71 | KMT2A (0.49) | ALDH1A1 | |
| SCHEMBL2808052 | 0.70 | PKM (0.47) | ALDH1A1ROCK2ROCK1 | |
| SCHEMBL31750019 | 0.70 | ABCB1 (0.50) | DHFRABCB1ABCC1ABCG2BRS3 | |
| SCHEMBL12315714 | 0.70 | ALDH1A1 (0.48) | ALDH1A1POLBSIGMAR1 | |
| SCHEMBL13302252 | 0.69 | TNF (0.70) | ABCB1ABCC1ABCG2DRD4ALDH1A1 |
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 9 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 |
| 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 |
| 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 |
| 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 | MAP3K11 1293/4885DHFR 20/4885ABCB1 171/4885 |
“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.