Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.37 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | ACR | P10323 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 2/20 | 0.39 |
| ▸ | AKT1 | P31749 | 2/20 | 0.39 |
| ▸ | AKT2 | P31751 | 2/20 | 0.39 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.39 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.39 |
| ▸ | LATS1 | O95835 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL851562 | 0.81 | PRKACA (0.53) | CYP1A2MAPTCYP3A4TSHRTDP1 | |
| SCHEMBL851350 | 0.81 | PRKACA (0.53) | CYP1A2MAPTCYP3A4TSHRTDP1 | |
| SCHEMBL851652 | 0.81 | PRKACA (0.53) | CYP1A2MAPTCYP3A4TSHRTDP1 | |
| SCHEMBL12173962 | 0.77 | KMT2A (0.42) | CYP1A2MAPTCYP3A4TSHRTDP1 | |
| 1,4-Dichlorobenzene SCHEMBL29046429 | 0.76 | LMNA (0.53) | CYP1A2MAPTCYP3A4TDP1CYP2D6 | |
| SCHEMBL5314183 | 0.76 | LMNA (0.53) | CYP1A2MAPTCYP3A4TDP1CYP2D6 | |
| SCHEMBL3349093 | 0.76 | ALDH1A1 (0.50) | MAPTCYP3A4TSHRTDP1CYP2D6 | |
| SCHEMBL16581571 | 0.75 | LMNA (0.50) | MAPTTSHRTDP1KMT2AHTT | |
| SCHEMBL4452002 | 0.75 | ENPP3 (0.38) | CYP1A2MAPTCYP3A4TSHRTDP1 | |
| SCHEMBL850796 | 0.75 | ENPP3 (0.38) | CYP1A2MAPTCYP3A4TSHRTDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |
| 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-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 | EGFR 1065/4885ERBB2 331/4885CYP1A2 3185/4885 |
| 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 | EGFR 898/4885ERBB2 334/4885CYP1A2 3081/4885 |
“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.