Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 2/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 14/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Urea SCHEMBL28025849 | 0.93 | ITK (0.44) | ITKGRM4GAAKDM4EPDPK1 | |
| SCHEMBL123148 | 0.88 | PDPK1 (0.52) | ITKGRM4GAAKDM4EPDPK1 | |
| SCHEMBL29498332 | 0.88 | PDPK1 (0.52) | ITKGRM4GAAKDM4EPDPK1 | |
| Hydrochloric Acid SCHEMBL30278764 | 0.86 | PDPK1 (0.50) | ITKGRM4GAAKDM4EPDPK1 | |
| Hydrochloric Acid SCHEMBL29647922 | 0.86 | PDPK1 (0.50) | ITKGRM4GAAKDM4EPDPK1 | |
| SCHEMBL29455053 | 0.77 | PARP1 (0.45) | ITKGRM4KDM4EPARP1 | |
| SCHEMBL3219167 | 0.77 | PARP1 (0.45) | ITKGRM4KDM4EPARP1 | |
| SCHEMBL27085309 | 0.72 | GRM4 (0.38) | ITKGRM4GAAKDM4EPDPK1 | |
| SCHEMBL31133393 | 0.71 | GRM4 (0.49) | ITKGRM4KDM4ECYP3A4 | |
| SCHEMBL5315944 | 0.71 | GRM4 (0.49) | ITKGRM4KDM4ECYP3A4 |
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 | ITK 1960/4885GRM4 3547/4885GAA 997/4885 |
“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.