SCHEMBL501013

SCHEMBL501013

CC(C)c1cc(-c2nnc(C(N)=O)n2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.59
HSP90AA1 P07900 18/20 0.51
HSP90B1 P14625 2/20 0.51
TRAP1 Q12931 2/20 0.51
HSP90AB1 P08238 4/20 0.49

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
SCHEMBL500796 0.92 PDK1 (0.53) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL1870789 0.92 HSP90AA1 (0.49) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL500653 0.90 HSP90AA1 (0.48) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL501410 0.90 PDK1 (0.47) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL10278307 0.89 PDK1 (0.49) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL501320 0.89 PDK1 (0.45) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL1870020 0.89 HSP90AA1 (0.52) PDK1HSP90AA1HSP90AB1
SCHEMBL1866437 0.89 HSP90AA1 (0.53) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL1861278 0.88 PDK1 (0.46) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL1866153 0.88 HSP90AA1 (0.61) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US claimed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-20150283147-A1 TREATING POLYCYSTIC KIDNEY DISEASE WITH HSP90 INHIBITORY COMPOUNDS THE INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER 2015-10-08 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US disclosed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP disclosed
US-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORPORATION 2011-05-05 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
CN-101679319-A Triazole compounds useful for the treatment of proliferative disorders such as cancer SYNTA PHARMACEUTICALS CORP 2010-03-24 CN disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO disclosed
EP-2118077-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-11-18 EP disclosed
WO-2008097640-A2 TRIAZOLE COMPOUNDS THAT ARE USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS, SUCH AS CANCER SYNTA PHARMACEUTICALS CORP. (US) 2008-08-14 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 (5 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-20150283147-A1 TREATING POLYCYSTIC KIDNEY DISEASE WITH HSP90 INHIBITORY COMPOUNDS HSP90B1, HSP90AB1, HSP90AA1 PDK1 155/4885HSP90AA1 3/4885HSP90B1 1/4885
US-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P PDK1 501/4885HSP90AA1 2/4885HSP90B1 4/4885
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 PDK1 1289/4885HSP90AA1 3/4885HSP90B1 2/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 PDK1 1289/4885HSP90AA1 3/4885HSP90B1 2/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 PDK1 1289/4885HSP90AA1 3/4885HSP90B1 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.