Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.53 |
| ▸ | RELA | Q04206 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | CDK4 | P11802 | 2/20 | 0.48 |
| ▸ | CCND1 | P24385 | 2/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4352696 | 0.86 | SMN1; SMN2 (0.49) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL4348167 | 0.84 | CDK1 (0.52) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL4352694 | 0.84 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL4357734 | 0.83 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL4351059 | 0.83 | CDK4 (0.48) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL4351848 | 0.81 | ALDH1A1 (0.57) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL4346722 | 0.79 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL4350416 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL1158167 | 0.78 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL6833126 | 0.78 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7615634-B2 | 4-aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-11-10 | — | — | US | disclosed |
| US-7615634-B2 | 4-aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-11-10 | — | — | US | disclosed |
| US-7615634-B2 | 4-aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-11-10 | — | — | US | disclosed |
| US-7157455-B2 | 4-Aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-01-02 | — | — | US | disclosed |
| US-7157455-B2 | 4-Aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-01-02 | — | — | US | disclosed |
| US-20060229330-A1 | 4-aminopyrimidine-5-one derivatives | BARTKOVITZ DAVID J | 2006-10-12 | — | — | US | disclosed |
| EP-1628619-A2 | 4-AMINOPYRIMIDINE-5-ONE | F.HOFFMANN-LA ROCHE AG (CH) | 2006-03-01 | — | — | EP | disclosed |
| US-20040162303-A1 | 4-aminopyrimidine-5-one derivatives | BARTKOVITZ DAVID JOSEPH (US) | 2004-08-19 | — | — | US | disclosed |
| WO-2004069139-A2 | 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY | F.HOFFMANN-LA ROCHE AG (CH) | 2004-08-19 | — | — | 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-20040162303-A1 | 4-aminopyrimidine-5-one derivatives | CDK4, CDKL4, CDK6 | SMN1; SMN2 2994/4885ALDH1A1 915/4885NPC1 4687/4885 |
| US-20060229330-A1 | 4-aminopyrimidine-5-one derivatives | CDK4, CDKL4, CDK2 | SMN1; SMN2 2768/4885ALDH1A1 1191/4885NPC1 4684/4885 |
“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.