Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.40 |
| ▸ | JAK2 | O60674 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
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 | 0.89 | HDAC3 (0.49) | PIK3CAPIK3CBPIK3CGNPC1RAB9A | |
| SCHEMBL2178808 | 0.89 | CASP2 (0.41) | PIK3CAAKT1MTORPIK3CBPIK3CG | |
| SCHEMBL6128772 | 0.89 | NPC1 (0.44) | PIK3CAPIK3CBPIK3CGDYRK1ANPC1 | |
| SCHEMBL2178751 | 0.87 | AAK1 (0.42) | PIK3CAPIK3CBPIK3CGDYRK1AHDAC3 | |
| SCHEMBL2178971 | 0.87 | HDAC2 (0.48) | PIK3CANPC1RAB9ASMN1; SMN2JAK2 | |
| SCHEMBL2176307 | 0.86 | KDR (0.41) | PIK3CAAKT1MTORPIK3CBPIK3CG | |
| SCHEMBL6128802 | 0.85 | HDAC3 (0.43) | PIK3CALMNATSHRHTTPIK3CB | |
| SCHEMBL2178371 | 0.85 | BTK (0.46) | PIK3CAHDAC3NCOR1HDAC2 | |
| SCHEMBL2175597 | 0.84 | HDAC3 (0.39) | PIK3CAAKT1MTORPIK3CBPIK3CG | |
| SCHEMBL2175910 | 0.84 | TDO2 (0.46) | PIK3CAHDAC3NCOR1HDAC2 |
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 |
| 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 |
| 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 |
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 | HSD17B1 2881/4885HSD17B2 2922/4885PIK3CA 338/4885 |
“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.