Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.48 |
| ▸ | PRKCA | P17252 | 3/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | TTK | P33981 | 1/20 | 0.45 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.45 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | ITK | Q08881 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.43 |
| ▸ | BCR | P11274 | 2/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2175891 | 0.94 | HDAC3 (0.49) | HDAC2HDAC3NCOR1ADORA3SRC | |
| SCHEMBL2178371 | 0.90 | BTK (0.46) | HDAC2HDAC3NCOR1SRCFLT3 | |
| SCHEMBL2175910 | 0.89 | TDO2 (0.46) | HDAC2HDAC3NCOR1AURKBAURKA | |
| SCHEMBL2178148 | 0.87 | HSD17B1 (0.46) | HDAC2HDAC3NCOR1PIK3CASMN1; SMN2 | |
| SCHEMBL6128802 | 0.85 | HDAC3 (0.43) | HDAC2HDAC3NCOR1AURKBAURKA | |
| SCHEMBL2178808 | 0.84 | CASP2 (0.41) | HDAC2HDAC3NCOR1PIK3CAPDGFRA | |
| SCHEMBL6128772 | 0.84 | NPC1 (0.44) | HDAC2HDAC3NCOR1ADORA3PIK3CA | |
| SCHEMBL2178751 | 0.83 | AAK1 (0.42) | HDAC2HDAC3NCOR1AURKBAURKA | |
| SCHEMBL2176307 | 0.82 | KDR (0.41) | HDAC2HDAC3NCOR1PIK3CAABL1 | |
| SCHEMBL5465449 | 0.81 | PIK3CA (0.58) | HDAC2HDAC3NCOR1PRKCAADORA3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8173808-B2 | Substituted naphthalenyl-pyrimidine compounds | ARQULE, INC. (US) | 2012-05-08 | — | — | US | claimed |
| EP-2519519-A2 | SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS | ArQule, Inc. (US) | 2012-11-07 | — | — | EP | disclosed |
| US-8173808-B2 | Substituted naphthalenyl-pyrimidine compounds | ARQULE, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| US-8173808-B2 | Substituted naphthalenyl-pyrimidine compounds | ARQULE, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| US-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | ARQULE, INC. (US) | 2011-07-07 | — | — | US | disclosed |
| US-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | ARQULE, INC. (US) | 2011-07-07 | — | — | US | disclosed |
| WO-2011082268-A2 | SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS | ARQULE INC. (US) | 2011-07-07 | — | — | WO | disclosed |
| WO-2011082268-A2 | SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS | ARQULE INC. (US) | 2011-07-07 | — | — | 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-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | DPYD, TP53, TYMP | HDAC2 2152/4885HDAC3 1641/4885NCOR1 418/4885 |
“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.