Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 2/20 | 0.46 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | PRKACA | P17612 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.45 |
| ▸ | BTK | Q06187 | 11/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2021419 | 0.88 | EGFR (0.54) | BRAFTNNI3K | |
| SCHEMBL2022444 | 0.88 | BTK (0.51) | BRAFTNNI3KBTKHTT | |
| SCHEMBL2022472 | 0.88 | EGFR (0.48) | BRAFTNNI3KCDC7ROCK2PIM1 | |
| SCHEMBL2020584 | 0.86 | ABCG2 (0.55) | BTKMEN1MAPTKMT2A | |
| SCHEMBL2021310 | 0.85 | BRAF (0.45) | BRAFTNNI3KBTK | |
| SCHEMBL2020574 | 0.85 | BTK (0.48) | BRAFTNNI3KBTK | |
| SCHEMBL2016580 | 0.84 | BTK (0.49) | ERBB2BTKMEN1MAPTKMT2A | |
| SCHEMBL2021226 | 0.83 | ERBB2 (0.52) | CDC7ROCK2MAP4K4PIM1PRKACA | |
| SCHEMBL2019190 | 0.82 | SYK (0.48) | BRAFROCK2MAP4K4PIM1PRKACA | |
| SCHEMBL2022876 | 0.81 | BTK (0.42) | CDC7ROCK2MAP4K4PIM1PRKACA |
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-8580803-B2 | Substituted pyrrolo-aminopyrimidine compounds | ARQULE, INC. (US) | 2013-11-12 | — | — | US | disclosed |
| US-8580803-B2 | Substituted pyrrolo-aminopyrimidine compounds | ARQULE, INC. (US) | 2013-11-12 | — | — | US | disclosed |
| US-8580803-B2 | Substituted pyrrolo-aminopyrimidine compounds | ARQULE, INC. (US) | 2013-11-12 | — | — | US | disclosed |
| WO-2011082273-A2 | SUBSTITUTED PYRROLO-AMINOPYRIMIDINE COMPOUNDS | ARQULE, INC. (US) | 2011-07-07 | — | — | WO | disclosed |
| US-20110160203-A1 | Substituted Pyrrolo-Aminopyrimidine Compounds | ARQULE, INC. (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160203-A1 | Substituted Pyrrolo-Aminopyrimidine Compounds | ARQULE, INC. (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160203-A1 | Substituted Pyrrolo-Aminopyrimidine Compounds | ARQULE, INC. (US) | 2011-06-30 | — | — | US | 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-20110160203-A1 | Substituted Pyrrolo-Aminopyrimidine Compounds | DPYD, TYMP, DHFR | BRAF 470/4885TNNI3K 1515/4885CDC7 996/4885 |
“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.