Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 5/20 | 0.35 |
| ▸ | SYK | P43405 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 5/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | ZAP70 | P43403 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13592042 | 0.88 | HDAC3 (0.40) | NPC1TSHRRAB9ASMN1; SMN2HDAC3 | |
| SCHEMBL11310158 | 0.84 | MAP3K5 (0.46) | CDK2SYKKDRCSNK2A1SRC | |
| SCHEMBL11293965 | 0.83 | CCNT1 (0.42) | CDK2SYKCCNA2 | |
| SCHEMBL12300789 | 0.83 | CDK2 (0.45) | CDK2SYKKDRCSNK2A1CCNA2 | |
| SCHEMBL11298222 | 0.82 | DYRK2 (0.40) | CDK2SYKCCNA2 | |
| SCHEMBL11294994 | 0.82 | NPC1 (0.38) | NPC1TSHRRAB9ASMN1; SMN2HDAC3 | |
| SCHEMBL11297388 | 0.81 | SYK (0.37) | NPC1TSHRRAB9ASMN1; SMN2CDK2 | |
| SCHEMBL13591972 | 0.78 | NPC1 (0.38) | NPC1TSHRRAB9ASMN1; SMN2CDK2 | |
| SCHEMBL13591677 | 0.78 | — | — | |
| SCHEMBL11297416 | 0.76 | FLT1 (0.41) | CDK2SYKKDRCCNA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8288400-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |
| US-8288400-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | disclosed |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | disclosed |
| US-8017619-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-13 | — | — | US | disclosed |
| US-8017619-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-13 | — | — | US | disclosed |
| US-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-04 | — | — | US | disclosed |
| US-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-04 | — | — | US | disclosed |
| US-7700609-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-20 | — | — | US | disclosed |
| US-7700609-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-20 | — | — | 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 (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-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | NPC1 2338/4885TSHR 4205/4885RAB9A 1786/4885 |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | NPC1 2338/4885TSHR 4205/4885RAB9A 1786/4885 |
“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.