Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | TTK | P33981 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.50 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 6/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2178130 | 0.82 | PDPK1 (0.46) | CDK5MEN1KMT2ANPC1RAB9A | |
| Hydrochloric Acid SCHEMBL2178319 | 0.81 | PDPK1 (0.45) | CDK5MEN1KMT2ANPC1RAB9A | |
| SCHEMBL2177838 | 0.80 | FERMT2 (0.44) | CDK5MEN1KMT2ANPC1RAB9A | |
| SCHEMBL2178148 | 0.80 | HSD17B1 (0.46) | CDK5NPC1RAB9ACDK5R1PIK3CG | |
| SCHEMBL2176027 | 0.78 | NCF1 (0.54) | PIK3CGPIK3CAPIK3CBIKBKB | |
| SCHEMBL2178230 | 0.78 | HTR1A (0.43) | CDK5MEN1KMT2ANPC1RAB9A | |
| SCHEMBL2179083 | 0.78 | MTOR (0.52) | MEN1KMT2ANPC1RAB9A | |
| SCHEMBL2178808 | 0.77 | CASP2 (0.41) | PIK3CGPIK3CAPIK3CBDYRK1ACLK4 | |
| Hydrochloric Acid SCHEMBL2177589 | 0.77 | NCF1 (0.53) | PIK3CGPIK3CAPIK3CBIKBKB | |
| SCHEMBL2175891 | 0.77 | HDAC3 (0.49) | MEN1KMT2ANPC1RAB9APIK3CG |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |
| 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 | AURKA 876/4885TTK 2139/4885AURKB 374/4885 |
“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.