Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 7/20 | 0.50 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.50 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.43 |
| ▸ | CDK4 | P11802 | 3/20 | 0.43 |
| ▸ | CCND1 | P24385 | 3/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CCND3 | P30281 | 2/20 | 0.42 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | EHMT1 | Q9H9B1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2179121 | 0.90 | IKBKB (0.53) | IKBKBMKNK1EIF2AK2RETMAPK8 | |
| SCHEMBL2176497 | 0.87 | NCF1 (0.45) | IKBKBMKNK1EIF2AK2NCF1MKNK2 | |
| SCHEMBL2179908 | 0.87 | ACHE (0.54) | MKNK1EIF2AK2MKNK2 | |
| SCHEMBL2176027 | 0.85 | NCF1 (0.54) | IKBKBMKNK1NCF1CCNA2CDK2 | |
| SCHEMBL2178908 | 0.84 | EIF2AK2 (0.45) | IKBKBMKNK1EIF2AK2NCF1MKNK2 | |
| Hydrochloric Acid SCHEMBL2177589 | 0.84 | NCF1 (0.53) | IKBKBMKNK1NCF1CCNA2CDK2 | |
| SCHEMBL2182169 | 0.81 | DYRK1A (0.53) | IKBKBMKNK1NCF1CDK2MAPK9 | |
| SCHEMBL2175103 | 0.80 | NCF1 (0.48) | IKBKBMKNK1EIF2AK2NCF1CCNA2 | |
| SCHEMBL6126567 | 0.80 | IKBKB (0.48) | IKBKBMKNK1EIF2AK2RETMAPK8 | |
| SCHEMBL2179096 | 0.80 | MKNK1 (0.47) | IKBKBMKNK1NCF1MKNK2 |
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 6 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 |
| 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 |
| 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 | IKBKB 401/4885MKNK1 2469/4885EIF2AK2 1269/4885 |
“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.