SCHEMBL501143

SCHEMBL501143

COc1cc(O)c(-c2nnc(C(=O)NCC(F)(F)F)n2-c2ccc(CN3CCOCC3)c(Cl)c2)cc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIK2 Q9H0K1 3/20 0.38
SIK3 Q9Y2K2 3/20 0.38
SIK1 P57059 2/20 0.38
HSP90AA1 P07900 12/20 0.37
HSP90B1 P14625 2/20 0.37
TRAP1 Q12931 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HSP90AB1 P08238 9/20 0.36
BRD4 O60885 2/20 0.36

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
SCHEMBL500722 0.92 SIK2 (0.39) SIK2SIK3SIK1HSP90AA1HSP90B1
SCHEMBL500916 0.92 BRD4 (0.38) SIK2SIK3SIK1HSP90AA1HSP90AB1
SCHEMBL500858 0.92 HSP90AA1 (0.42) HSP90AA1HSP90B1TRAP1HSP90AB1BRD4
SCHEMBL501096 0.92 HSP90AA1 (0.44) HSP90AA1HSP90B1TRAP1PDCD1CD274
SCHEMBL15382974 0.91 HSP90AA1 (0.38) HSP90AA1HSP90B1TRAP1PDCD1CD274
SCHEMBL501432 0.91 HSP90AA1 (0.44) SIK2SIK3SIK1HSP90AA1HSP90B1
SCHEMBL501227 0.90 AVPR1B (0.40) HSP90AA1HSP90B1TRAP1PDCD1CD274
SCHEMBL501221 0.88 HSP90AA1 (0.40) HSP90AA1HSP90B1TRAP1PDCD1CD274
SCHEMBL501082 0.87 HSP90AA1 (0.42) HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL500725 0.85 BRD4 (0.38) SIK2SIK3SIK1HSP90AA1HSP90AB1

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 27 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-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 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
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 (4 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 SIK2 765/4885SIK3 637/4885SIK1 1278/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 SIK2 765/4885SIK3 637/4885SIK1 1278/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 SIK2 765/4885SIK3 637/4885SIK1 1278/4885
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 SIK2 765/4885SIK3 637/4885SIK1 1278/4885

“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.