Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of At-13148. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 known ✓ | O75116 | 3/20 | 1.00 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 1.00 |
| ▸ | AKT1 | P31749 | 11/20 | 1.00 |
| ▸ | AKT2 | P31751 | 8/20 | 1.00 |
| ▸ | AKT3 | Q9Y243 | 3/20 | 1.00 |
| ▸ | PRKACA | P17612 | 2/20 | 1.00 |
| ▸ | PRKCD | Q05655 | 2/20 | 1.00 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 1.00 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 1.00 |
| ▸ | LATS1 | O95835 | 1/20 | 1.00 |
| ▸ | PRKACB | P22694 | 1/20 | 1.00 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 1.00 |
| ▸ | GRK2 | P25098 | 1/20 | 1.00 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 1.00 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 1.00 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 1.00 |
| ▸ | PKN1 | Q16512 | 1/20 | 1.00 |
| ▸ | PKN2 | Q16513 | 1/20 | 1.00 |
| ▸ | SGK3 | Q96BR1 | 1/20 | 1.00 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| At-13148 SCHEMBL851471 | 1.00 | AKT1 (1.00) | AKT1AKT2AKT3ROCK2PRKACA | |
| At-13148 SCHEMBL851075 | 1.00 | AKT1 (1.00) | AKT1AKT2AKT3ROCK2PRKACA | |
| At-13148 SCHEMBL15134882 | 0.99 | AKT1 (0.97) | AKT1AKT2AKT3ROCK2PRKACA | |
| At-13148 SCHEMBL15134945 | 0.99 | AKT1 (0.97) | AKT1AKT2AKT3ROCK2PRKACA | |
| SCHEMBL3028412 | 0.89 | AKT1 (0.80) | AKT1AKT2AKT3ROCK2PRKACA | |
| SCHEMBL3025820 | 0.89 | AKT1 (0.80) | AKT1AKT2AKT3ROCK2PRKACA | |
| SCHEMBL3024761 | 0.89 | AKT1 (0.80) | AKT1AKT2AKT3ROCK2PRKACA | |
| SCHEMBL4788375 | 0.87 | AKT1 (0.77) | AKT1AKT2AKT3ROCK2PRKACA | |
| SCHEMBL3030502 | 0.87 | AKT1 (0.76) | AKT1AKT2AKT3ROCK2PRKACA | |
| Hydrochloric Acid SCHEMBL3021133 | 0.86 | AKT1 (0.75) | AKT1AKT2AKT3ROCK2PRKACA |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2433632-A1 | Compositions and combinations comprising non-racemic 2-amino-1-(4-chloro-phenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol, for use in medicine | Astex Therapeutics Limited (GB) | 2012-03-28 | — | — | EP | claimed |
| US-20110269808-A1 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2011-11-03 | — | — | US | claimed |
| US-20100113551-A1 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2010-05-06 | — | — | US | claimed |
| EP-2134339-A2 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | Astex Therapeutics Limited (GB) | 2009-12-23 | — | — | EP | claimed |
| WO-2008110846-A2 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2008-09-18 | — | — | WO | claimed |
| EP-2134339-B1 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LTD (GB) | 2014-09-17 | — | — | EP | disclosed |
| CN-101686965-B | Compositions comprising (s)-2-amino-1-(4-chlorophenyl)-1-[4-(1h-pyrazol-4-yl)-phenyl]-ethanol as modulator of protein kinases | ASTEX THERAPEUTICS LTD | 2014-09-17 | — | — | CN | disclosed |
| US-8497294-B2 | Compositions comprising (S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol as modulator of protein kinases | ASTEX THERAPEUTICS LIMITED (GB) | 2013-07-30 | — | — | US | disclosed |
| US-8497294-B2 | Compositions comprising (S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol as modulator of protein kinases | ASTEX THERAPEUTICS LIMITED (GB) | 2013-07-30 | — | — | US | disclosed |
| EP-2433632-A1 | Compositions and combinations comprising non-racemic 2-amino-1-(4-chloro-phenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol, for use in medicine | Astex Therapeutics Limited (GB) | 2012-03-28 | — | — | EP | disclosed |
| EP-2433632-A1 | Compositions and combinations comprising non-racemic 2-amino-1-(4-chloro-phenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol, for use in medicine | Astex Therapeutics Limited (GB) | 2012-03-28 | — | — | EP | disclosed |
| US-20110269808-A1 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2011-11-03 | — | — | US | disclosed |
| US-20100113551-A1 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2010-05-06 | — | — | US | disclosed |
| CN-101686965-A | Compositions comprising (s)-2-amino-1-(4-chlorophenyl)-1-[4-(1h-pyrazol-4-yl)-phenyl]-ethanol as modulator of protein kinases | ASTEX THERAPEUTICS LTD | 2010-03-31 | — | — | CN | disclosed |
| CN-101686965-A | Compositions comprising (s)-2-amino-1-(4-chlorophenyl)-1-[4-(1h-pyrazol-4-yl)-phenyl]-ethanol as modulator of protein kinases | ASTEX THERAPEUTICS LTD | 2010-03-31 | — | — | CN | disclosed |
| EP-2134339-A2 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | Astex Therapeutics Limited (GB) | 2009-12-23 | — | — | EP | disclosed |
| EP-2134339-A2 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | Astex Therapeutics Limited (GB) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008110846-A3 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LTD (GB) | 2009-03-05 | — | — | WO | disclosed |
| WO-2008110846-A2 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2008-09-18 | — | — | WO | disclosed |
| WO-2008110846-A2 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2008-09-18 | — | — | 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-20100113551-A1 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | MAP4K2, PRKCH, DSTYK | ROCK2 672/4885ROCK1 721/4885AKT1 180/4885 |
| US-20110269808-A1 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | MAP4K2, MAP4K1, PRKCH | ROCK2 703/4885ROCK1 748/4885AKT1 214/4885 |
“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.