Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 7/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5348100 | 0.85 | POLB (0.47) | HCRTR2NOTUM | |
| SCHEMBL15022112 | 0.83 | ALDH1A1 (0.50) | KDM4EHCRTR2NOTUMHSD17B10 | |
| SCHEMBL5360597 | 0.79 | PTK2 (0.45) | NEK2KDM4ECYP2C19LMNAHTT | |
| SCHEMBL30919741 | 0.78 | HCRTR2 (0.47) | HCRTR2LMNAHTTHPGD | |
| SCHEMBL31381249 | 0.77 | NOTUM (0.52) | NEK2KDM4ECYP2C19LMNAHTT | |
| SCHEMBL1935622 | 0.76 | SMN1; SMN2 (0.49) | KDM4EHCRTR2HSD17B10 | |
| SCHEMBL1935226 | 0.76 | SMN1; SMN2 (0.49) | HCRTR2 | |
| SCHEMBL20272768 | 0.75 | KDM4E (0.55) | NEK2KDM4ECYP2C19LMNAHTT | |
| SCHEMBL5344400 | 0.75 | CDK4 (0.43) | NEK2KDM4ECYP2C19RORCUSP2 | |
| SCHEMBL5344394 | 0.75 | ACACB (0.43) | NEK2KDM4ECYP2C19USP2HPGD |
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-7244735-B2 | Heterocyclic protein kinase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INC. (US) | 2007-07-17 | — | — | US | disclosed |
| EP-1697375-A2 | HETEROCYCLIC PROTEIN KINASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2006-09-06 | — | — | EP | disclosed |
| US-20050245499-A1 | Heterocyclic protein kinase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2005-11-03 | — | — | US | disclosed |
| WO-2005068468-A2 | HETEROCYCLIC PROTEIN KINASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS, INC. (US) | 2005-07-28 | — | — | 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-20050245499-A1 | Heterocyclic protein kinase inhibitors and uses thereof | JAK1, PRKCQ, SKP1 | NEK2 157/4885KDM4E 1784/4885CYP2C19 3379/4885 |
“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.