Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 12/20 | 0.38 |
| ▸ | JUN | P05412 | 5/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 5/20 | 0.38 |
| ▸ | RELA | Q04206 | 5/20 | 0.38 |
| ▸ | XPO1 | O14980 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ATF1 | P18846 | 8/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.30 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.30 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.30 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4355063 | 0.88 | XPO1 (0.36) | NFKB1JUNNFKB2RELAXPO1 | |
| SCHEMBL4356261 | 0.73 | P4HB (0.31) | — | |
| SCHEMBL27243764 | 0.72 | NPC1 (0.47) | NFKB1JUNNFKB2RELAXPO1 | |
| SCHEMBL5001832 | 0.72 | CDK1 (0.45) | NFKB1JUNNFKB2RELAATF1 | |
| SCHEMBL4823128 | 0.71 | SLC22A12 (0.46) | NFKB1KEAP1 | |
| SCHEMBL5002132 | 0.71 | ABL1 (0.45) | NFKB1JUNNFKB2RELAXPO1 | |
| SCHEMBL4997555 | 0.70 | KCNQ3 (0.53) | NFKB1JUNNFKB2RELAKCNQ3 | |
| SCHEMBL30367823 | 0.70 | PARP1 (0.43) | KEAP1 | |
| SCHEMBL16844542 | 0.70 | MAPT (0.40) | CYP3A4 | |
| Hydrochloric Acid SCHEMBL28438885 | 0.68 | PARP1 (0.44) | KEAP1 |
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 8 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-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 | NFKB1 715/4885JUN 1358/4885NFKB2 1478/4885 |
| US-20060229330-A1 | 4-aminopyrimidine-5-one derivatives | CDK4, CDKL4, CDK2 | NFKB1 727/4885JUN 919/4885NFKB2 1248/4885 |
“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.