SCHEMBL6746844

SCHEMBL6746844

CC(C)c1cc(-c2nnc(S)n2Cc2cccc(CN3CCOCC3)c2)c(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
MAPT P10636 1/20 0.46
HSP90AA1 P07900 14/20 0.46
HSP90B1 P14625 2/20 0.46
TRAP1 Q12931 2/20 0.46
BRD4 O60885 1/20 0.44
HSP90AB1 P08238 4/20 0.44
NCF1 P14598 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL6746929 0.93 PDK1 (0.52) PDK1MAPTHSP90AA1HSP90B1TRAP1
SCHEMBL6747132 0.90 MAPT (0.47) PDK1MAPTHSP90AA1HSP90B1TRAP1
SCHEMBL6747079 0.89 HSP90AA1 (0.46) HSP90AA1HSP90B1TRAP1BRD4HSP90AB1
SCHEMBL6747028 0.89 HSP90AA1 (0.42) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL14342493 0.89 BRD4 (0.44) PDK1HSP90AA1HSP90B1TRAP1BRD4
SCHEMBL5130730 0.88 MAPT (0.45) PDK1MAPTHSP90AA1HSP90B1TRAP1
SCHEMBL16230446 0.85 HSP90AA1 (0.42) HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL6747254 0.84 PDK1 (0.47) PDK1MAPTHSP90AA1HSP90B1TRAP1
SCHEMBL6747355 0.84 PDK1 (0.45) PDK1MAPTHSP90AA1HSP90B1TRAP1
SCHEMBL6747599 0.83 HSP90AA1 (0.49) PDK1MAPTHSP90AA1HSP90B1TRAP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139968-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080004277-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 PDK1 1567/4885MAPT 2927/4885HSP90AA1 3/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 PDK1 1567/4885MAPT 2927/4885HSP90AA1 3/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 PDK1 1567/4885MAPT 2927/4885HSP90AA1 3/4885

“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.