Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 2/20 | 0.41 |
| ▸ | GCK | P35557 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 2/20 | 0.40 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10547275 | 0.82 | MAP4K4 (0.52) | BRAFSLC6A2SLC6A4SLC6A3MAP4K4 | |
| SCHEMBL2463239 | 0.81 | IGF1R (0.40) | BRAFF10KDM4EIGF1R | |
| SCHEMBL1122215 | 0.81 | NTRK1 (0.52) | BRAFSLC6A2SLC6A4SLC6A3MAP4K4 | |
| SCHEMBL16551691 | 0.81 | IGF1R (0.40) | BRAFF10KDM4EIGF1R | |
| SCHEMBL23010876 | 0.81 | BRAF (0.51) | BRAFSLC6A2SLC6A4SLC6A3MAP4K4 | |
| SCHEMBL19317588 | 0.81 | BRAF (0.51) | BRAFSLC6A2SLC6A4SLC6A3MAP4K4 | |
| SCHEMBL12677967 | 0.80 | HTT (0.50) | BRAFKDM4EIGF1R | |
| SCHEMBL18617334 | 0.79 | JAK2 (0.44) | BRAFSLC6A2SLC6A4F10KDM4E | |
| SCHEMBL17099366 | 0.78 | MAOA (0.43) | F10KDM4EIGF1R | |
| SCHEMBL18586073 | 0.78 | F10 (0.44) | F10IGF1RKDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170253615-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| US-20170253592-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| WO-2016042452-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |
| WO-2016042453-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | 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 (2 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-20170253592-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | SLC6A3, SLC6A2, SLC6A19 | BRAF 1460/4885SLC6A2 2/4885SLC6A4 12/4885 |
| US-20170253615-A1 | Spirocyclic derivatives | SLC6A3, SLC10A1, ABCB11 | BRAF 2863/4885SLC6A2 4/4885SLC6A4 17/4885 |
“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.