Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 6/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.41 |
| ▸ | CDK1 | P06493 | 5/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.41 |
| ▸ | CDK2 | P24941 | 4/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.39 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.39 |
| ▸ | FGFR3 | P22607 | 3/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12252946 | 0.91 | AURKA (0.44) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12303277 | 0.90 | AURKA (0.43) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12772132 | 0.89 | AURKA (0.43) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8305800 | 0.89 | LMNA (0.49) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12252754 | 0.88 | AURKA (0.48) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8302923 | 0.88 | AURKA (0.43) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8299904 | 0.88 | AURKA (0.42) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12582585 | 0.88 | AURKA (0.45) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL14780744 | 0.87 | AURKA (0.43) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL546083 | 0.87 | ITK (0.44) | AURKAAURKBCDK1CCNB1CDK2 |
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 6 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 |
| 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 |
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 | AURKA 98/4885AURKB 67/4885CDK1 316/4885 |
| US-20120190673-A1 | PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | CDK3, CDK1, AURKA | AURKA 3/4885AURKB 9/4885CDK1 2/4885 |
| US-20080132495-A1 | Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases | CDK3, CDK1, AURKA | AURKA 3/4885AURKB 9/4885CDK1 2/4885 |
“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.