Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.58 |
| ▸ | NCF1 | P14598 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30059176 | 0.98 | HRH3 (0.59) | HRH3NCF1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL546487 | 0.98 | HRH3 (0.59) | HRH3NCF1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL16054673 | 0.93 | HRH3 (0.54) | HRH3NCF1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL16054714 | 0.85 | HRH3 (0.72) | HRH3NCF1SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL6770411 | 0.83 | HRH3 (0.54) | HRH3NCF1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL4974297 | 0.83 | HTT (0.55) | HRH3NCF1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL18491483 | 0.83 | HRH3 (0.54) | HRH3NCF1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL27087826 | 0.83 | HRH3 (0.59) | HRH3NCF1SMN1; SMN2NPC1TP53 | |
| SCHEMBL4779922 | 0.83 | HRH3 (0.54) | HRH3NCF1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL27985405 | 0.83 | HRH3 (0.54) | HRH3NCF1SMN1; SMN2ALDH1A1HTT |
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-8778936-B2 | Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases | ASTEX THERAPEUTICS LIMITED (GB) | 2014-07-15 | — | — | US | disclosed |
| US-8399442-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2013-03-19 | — | — | US | disclosed |
| US-20120190673-A1 | PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2012-07-26 | — | — | US | disclosed |
| US-8110573-B2 | Enzyme inhibitors; Cyclin-Dependent Kinases (CDK), Glycogen Synthase Kinases (GSK); -cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea salt for example; anticancer agents | ASTEX THERAPEUTICS LIMITED (GB) | 2012-02-07 | — | — | US | disclosed |
| EP-2395000-A1 | Benzimidazole compounds that modulate the activity of CDK, GSK and aurora kinases | Astex Therapeutics Limited (GB) | 2011-12-14 | — | — | EP | disclosed |
| US-20100004232-A1 | Pharmaceutical Compounds | ASTEX THERAPEUTICS LIMITED (UK) | 2010-01-07 | — | — | US | disclosed |
| US-20080132495-A1 | Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases | ASTEX THERAPEUTICS LIMITED (GB) | 2008-06-05 | — | — | US | disclosed |
| EP-1833819-A1 | PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | Astex Therapeutics Limited (GB) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006070195-A1 | PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-06 | — | — | 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 (3 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-20100004232-A1 | Pharmaceutical Compounds | ERBB3, ABL1, RET | HRH3 687/4885NCF1 2162/4885SMN1; SMN2 3461/4885 |
| US-20120190673-A1 | PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | CDK3, CDK1, AURKA | HRH3 2160/4885NCF1 2370/4885SMN1; SMN2 2569/4885 |
| US-20080132495-A1 | Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases | CDK3, CDK1, AURKA | HRH3 2160/4885NCF1 2370/4885SMN1; SMN2 2569/4885 |
“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.