Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 5/20 | 0.55 |
| ▸ | CDK2 | P24941 | 5/20 | 0.55 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.55 |
| ▸ | CDK7 | P50613 | 2/20 | 0.55 |
| ▸ | CDK9 | P50750 | 2/20 | 0.55 |
| ▸ | CCNH | P51946 | 2/20 | 0.55 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | JAK3 | P52333 | 3/20 | 0.54 |
| ▸ | JAK2 | O60674 | 2/20 | 0.54 |
| ▸ | LYN | P07948 | 2/20 | 0.53 |
| ▸ | TXK | P42681 | 2/20 | 0.53 |
| ▸ | SYK | P43405 | 2/20 | 0.53 |
| ▸ | JAK1 | P23458 | 1/20 | 0.53 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.53 |
| ▸ | BTK | Q06187 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 3/20 | 0.48 |
| ▸ | SMG1 | Q96Q15 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2158172 | 0.87 | NEK1 (0.54) | CDK1CDK2LYNSYKNEK1 | |
| SCHEMBL12784681 | 0.83 | NEK1 (0.70) | CDK2CCNA2NEK1SRC | |
| SCHEMBL12785351 | 0.83 | NEK1 (0.66) | CDK1CDK2LYNNEK1SRC | |
| SCHEMBL12783961 | 0.82 | NPC1 (0.65) | NEK1SRCIKBKB | |
| SCHEMBL12785366 | 0.81 | AURKA (0.54) | CDK1CDK2CCNT1CCNB1CCNA2 | |
| SCHEMBL2158052 | 0.80 | NEK1 (0.53) | CDK1CDK2CDK7CDK9NEK1 | |
| SCHEMBL12784021 | 0.79 | NEK1 (0.45) | CDK1CDK2CCNT1CCNB1CCNA2 | |
| SCHEMBL2071254 | 0.79 | IGF1R (0.51) | CDK1CDK2CCNT1CCNB1CCNA2 | |
| SCHEMBL12045459 | 0.78 | SRC (0.57) | JAK3JAK2SYKEPHB4NEK1 | |
| SCHEMBL12437998 | 0.77 | IGF1R (0.50) | CDK2SYKNEK1SRCKDR |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-04 | — | — | US | disclosed |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-04 | — | — | US | disclosed |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-04 | — | — | US | disclosed |
| EP-2464641-B1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMA (US) | 2014-06-25 | — | — | EP | disclosed |
| EP-2464641-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2012-06-20 | — | — | EP | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | US | disclosed |
| WO-2011019405-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-17 | — | — | 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-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | TYMS, TYMP, DPYD | CDK1 205/4885CDK2 122/4885CCNT1 279/4885 |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | TYMS, TYMP, DPYD | CDK1 205/4885CDK2 122/4885CCNT1 279/4885 |
“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.