SCHEMBL500956

SCHEMBL500956

CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCC(C(=O)OCC)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HSP90AA1 P07900 8/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HSP90AB1 P08238 3/20 0.46
PDK1 Q15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSP90B1 P14625 1/20 0.45
TRAP1 Q12931 1/20 0.45
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 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
SCHEMBL500972 0.91 HSP90AA1 (0.48) HSP90AA1HSP90AB1PDK1HSP90B1TRAP1
SCHEMBL18546792 0.90 HSP90AA1 (0.43) KMT2AMEN1HSP90AA1HSP90AB1PDK1
SCHEMBL24321389 0.88 HSP90AA1 (0.47) HSP90AA1HSP90AB1PDK1HSP90B1TRAP1
SCHEMBL15521932 0.87 HSP90AA1 (0.44) HSP90AA1KDM4EALDH1A1HSP90AB1PDK1
SCHEMBL16713222 0.87 HSP90AA1 (0.44) HSP90AA1KDM4EALDH1A1HSP90AB1PDK1
SCHEMBL24321695 0.87 HSP90AA1 (0.44) HSP90AA1KDM4EALDH1A1HSP90AB1PDK1
SCHEMBL16569957 0.87 HSP90AA1 (0.44) HSP90AA1HSP90AB1PDK1HSP90B1TRAP1
SCHEMBL16713228 0.87 HSP90AA1 (0.44) HSP90AA1KDM4EALDH1A1HSP90AB1PDK1
SCHEMBL28130338 0.87 HSP90AA1 (0.59) HSP90AA1HSP90AB1PDK1HSP90B1TRAP1
SCHEMBL500948 0.87 HSP90AA1 (0.51) HSP90AA1HSP90AB1PDK1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US claimed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US claimed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP claimed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO 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-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
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP 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
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 KMT2A 3590/4885MEN1 4432/4885HSP90AA1 3/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 KMT2A 3590/4885MEN1 4432/4885HSP90AA1 3/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 KMT2A 3590/4885MEN1 4432/4885HSP90AA1 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.