SCHEMBL1019796

SCHEMBL1019796

CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(OC(=O)C(C)(C)C)cc1OC(=O)C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 16/20 0.65
HSP90AA1 P07900 9/20 0.65
HSP90B1 P14625 1/20 0.65
ROCK1 Q13464 2/20 0.41
SLC6A9 P48067 1/20 0.38
ROCK2 O75116 1/20 0.37
NAMPT P43490 1/20 0.37

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1638060 0.99 HSP90AB1 (0.64) HSP90AB1HSP90AA1HSP90B1ROCK1SLC6A9
SCHEMBL1019460 0.90 HSP90AB1 (0.68) HSP90AB1HSP90AA1HSP90B1ROCK1SLC6A9
SCHEMBL1018708 0.90 HSP90AB1 (0.63) HSP90AB1HSP90AA1HSP90B1ROCK1SLC6A9
SCHEMBL1018434 0.89 HSP90AB1 (0.67) HSP90AB1HSP90AA1HSP90B1ROCK1ROCK2
SCHEMBL13649822 0.88 HSP90AA1 (0.71) HSP90AB1HSP90AA1HSP90B1
SCHEMBL13649820 0.88 HSP90AA1 (0.57) HSP90AB1HSP90AA1HSP90B1ROCK1SLC6A9
SCHEMBL1019641 0.88 HSP90AB1 (0.65) HSP90AB1HSP90AA1HSP90B1ROCK1ROCK2
SCHEMBL1017906 0.88 HSP90AA1 (0.65) HSP90AB1HSP90AA1HSP90B1ROCK1ROCK2
SCHEMBL1020564 0.86 HSP90AA1 (0.71) HSP90AB1HSP90AA1HSP90B1ROCK1
SCHEMBL1019008 0.86 HSP90AB1 (0.63) HSP90AB1HSP90AA1HSP90B1ROCK1ROCK2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP claimed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US claimed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US claimed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US claimed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US claimed
EP-2271618-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2011-01-12 EP claimed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 WO claimed
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
EP-2271618-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2011-01-12 EP disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 WO disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130210820-A1 Pharmaceutical Compounds SLC10A1, MAPT, SLC5A1 HSP90AB1 2096/4885HSP90AA1 2662/4885HSP90B1 3472/4885
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS NR3C2, NR5A2, NR0B1 HSP90AB1 3671/4885HSP90AA1 4129/4885HSP90B1 4440/4885

“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.