Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 5/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR1F | P30939 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 3/20 | 0.38 |
| ▸ | BRD1 | O95696 | 1/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5098938 | 0.93 | ATR (0.40) | ABCB1ABCG2BRPF1HTR1AHTR1B | |
| SCHEMBL5111914 | 0.89 | BRPF1 (0.44) | MAPK1BRPF1HTR1AHTR1BHTR1F | |
| SCHEMBL5104896 | 0.89 | MAPT (0.38) | MAPK1ABCB1ABCG2BRPF1HTR1A | |
| SCHEMBL5102362 | 0.87 | RBP4 (0.39) | MAPK1ALDH1A1MAPT | |
| SCHEMBL5106531 | 0.84 | RBP4 (0.41) | RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL5106208 | 0.84 | ATR (0.38) | — | |
| SCHEMBL5112835 | 0.81 | ATR (0.42) | RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL5103065 | 0.81 | RBP4 (0.40) | HTR1AHTR1BHTR1FKDM4EALDH1A1 | |
| SCHEMBL5111561 | 0.80 | RAB9A (0.43) | MAPK1BRPF1NPC1RAB9AADORA3 | |
| SCHEMBL5106663 | 0.78 | ABL1 (0.38) | RAB9AKDM4EALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080004270-A1 | 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors | ASTEX THERAPEUTICS LIMITED (UK) | 2008-01-03 | — | — | US | disclosed |
| EP-1781653-A1 | 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS | Astex Therapeutics Limited (GB) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006003440-A1 | 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-01-12 | — | — | 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-20080004270-A1 | 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors | CDK3, CDK1, GSK3B | MAPK1 608/4885ABCB1 2006/4885ABCG2 2926/4885 |
“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.