Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.32 |
| ▸ | GCGR | P47871 | 1/20 | 0.32 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.32 |
| ▸ | SIK1 | P57059 | 1/20 | 0.31 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.31 |
| ▸ | SIK3 | Q9Y2K2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL481590 | 0.91 | BACE1 (0.41) | BACE1AAK1CCNB2CDK1CCNB1 | |
| SCHEMBL27851953 | 0.86 | L3MBTL1 (0.35) | BACE1AAK1SOS1PPARASLC22A12 | |
| SCHEMBL31123199 | 0.85 | GCGR (0.40) | BACE1AAK1SOS1MCL1GCGR | |
| SCHEMBL481938 | 0.84 | — | — | |
| SCHEMBL14920239 | 0.81 | BACE1 (0.41) | BACE1AAK1CCNB2CDK1CCNB1 | |
| SCHEMBL29967119 | 0.80 | BACE1 (0.38) | BACE1AAK1CCNB2CDK1CCNB1 | |
| SCHEMBL28877791 | 0.80 | BACE1 (0.38) | BACE1AAK1CCNB2CDK1CCNB1 | |
| SCHEMBL6120980 | 0.77 | BACE1 (0.40) | BACE1AAK1CCNB2CDK1CCNB1 | |
| SCHEMBL4946449 | 0.77 | KDM4E (0.31) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2510791 | 0.77 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2457913-B1 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | SIGNAL PHARM LLC (US) | 2017-04-19 | — | — | EP | disclosed |
| EP-2090577-B1 | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | SIGNAL PHARM LLC (US) | 2017-04-05 | — | — | EP | disclosed |
| EP-2773641-A1 | BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS | Xenon Pharmaceuticals Inc. (CA) | 2014-09-10 | — | — | EP | disclosed |
| WO-2013064984-A1 | BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2013-05-10 | — | — | WO | disclosed |
| EP-2078016-B1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2012-02-01 | — | — | EP | disclosed |
| US-7981893-B2 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2011-07-19 | — | — | US | disclosed |
| EP-2090577-A2 | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | Signal Pharmaceuticals LLC (US) | 2009-08-19 | — | — | EP | disclosed |
| EP-2078016-A2 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | Signal Pharmaceuticals LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| US-20090023724-A1 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC | 2009-01-22 | — | — | US | disclosed |
| WO-2008051493-A2 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | 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-20090023724-A1 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | JAK2, PHKG1, PHKG2 | BACE1 1892/4885AAK1 710/4885CCNB2 1249/4885 |
“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.