Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.60 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 3/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2852808 | 0.88 | CYP19A1 (0.57) | CYP19A1PRMT1POLBALDH1A1PKM | |
| SCHEMBL922755 | 0.81 | CYP19A1 (0.66) | CYP19A1PRMT1POLBALDH1A1PKM | |
| SCHEMBL15899787 | 0.81 | ALDH1A1 (0.53) | CYP19A1PRMT1ALDH1A1GAAHPGD | |
| SCHEMBL31174173 | 0.81 | PRMT1 (0.73) | CYP19A1PRMT1POLBALDH1A1PKM | |
| SCHEMBL1565027 | 0.81 | PRMT1 (0.73) | CYP19A1PRMT1POLBALDH1A1PKM | |
| SCHEMBL16142812 | 0.81 | ATM (0.56) | ALDH1A1GAAHPGDCA2CA1 | |
| SCHEMBL16775760 | 0.81 | ALDH1A1 (0.51) | ALDH1A1GAAHPGDCA2PRSS1 | |
| SCHEMBL7863564 | 0.81 | PGR (0.60) | ALDH1A1PKMGAAHPGDCA2 | |
| SCHEMBL2861011 | 0.80 | CYP19A1 (0.56) | CYP19A1PRMT1POLBALDH1A1PKM | |
| SCHEMBL5264294 | 0.80 | CYP2C9 (0.55) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761541-B1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | claimed |
| EP-1761541-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | claimed |
| WO-2005123738-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-29 | — | — | WO | claimed |
| US-20200407328-A1 | BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. | 2020-12-31 | — | — | US | disclosed |
| US-7378417-B2 | Pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-05-27 | — | — | US | disclosed |
| EP-1761541-B1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | disclosed |
| EP-1761541-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | disclosed |
| WO-2005123738-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-29 | — | — | WO | disclosed |
| US-20050282827-A1 | Pyrazolo-pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-22 | — | — | US | disclosed |
| US-6638921-B1 | Pharmaceutically acceptable derivatives thereof Cx, R1 and R2 being as defined in the disclosure may be used to inhibit the activity of HIV integrase. | PHARMACOR INC. (CA) | 2003-10-28 | — | — | US | disclosed |
| WO-2003082881-A2 | PYRIDOXAL-5-PHOSPHATE DERIVATIVES AS HIV INTEGRASE INHIBITORS | PROCYON BIOPHARMA INC. (CA) | 2003-10-09 | — | — | 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-20200407328-A1 | BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS | BRD4, BICRA, BRDT | CYP19A1 3664/4885PRMT1 865/4885POLB 1226/4885 |
| US-20050282827-A1 | Pyrazolo-pyrimidine derivatives | P2RX3, P2RX1, P2RX5 | CYP19A1 2174/4885PRMT1 798/4885POLB 2158/4885 |
“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.