Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.50 |
| ▸ | PIP4K2A | P48426 | 2/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 5/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL27887401 | 1.00 | ABCG2 (0.50) | ABCG2PIP4K2APIK3CGMAPTPOLB | |
| SCHEMBL2019872 | 0.98 | ABCG2 (0.52) | ABCG2PIP4K2APIK3CGMAPTPOLB | |
| SCHEMBL2023831 | 0.86 | ALDH1A1 (0.47) | MAPTPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL2020499 | 0.85 | NTRK1 (0.42) | ABCG2MAPTPOLBALDH1A1MEN1 | |
| SCHEMBL2019802 | 0.78 | ABCG2 (0.54) | ABCG2EGFRBRAF | |
| SCHEMBL1228737 | 0.77 | DHODH (0.47) | MAPTPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL1940103 | 0.73 | PDGFRB (0.67) | MEN1KMT2AEGFR | |
| SCHEMBL1230153 | 0.71 | HDAC1 (0.44) | MAPTMAPK1 | |
| SCHEMBL2026264 | 0.71 | POLB (0.47) | POLBALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL15381969 | 0.70 | BTK (0.50) | ABCG2PIP4K2AEGFRHSD17B10BRAF |
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-8580803-B2 | Substituted pyrrolo-aminopyrimidine compounds | ARQULE, INC. (US) | 2013-11-12 | — | — | US | disclosed |
| EP-2519525-A2 | SUBSTITUTED PYRROLO-AMINOPYRIMIDINE COMPOUNDS | ArQule, Inc. (US) | 2012-11-07 | — | — | EP | 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 |
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 | ABCG2 1489/4885PIP4K2A 1187/4885PIK3CG 504/4885 |
“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.