SCHEMBL500916

SCHEMBL500916

COc1cc(O)c(-c2nnc(C(=O)NCC(F)(F)F)n2-c2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
SIK1 P57059 1/20 0.36
SIK2 Q9H0K1 1/20 0.36
SIK3 Q9Y2K2 1/20 0.36
HSP90AA1 P07900 7/20 0.36
HSP90AB1 P08238 6/20 0.34
ABL1 P00519 1/20 0.34
KIT P10721 1/20 0.34
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
PRKD1 Q15139 1/20 0.34
RET P07949 1/20 0.34
DDR1 Q08345 3/20 0.33

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
SCHEMBL501143 0.92 SIK2 (0.38) BRD4SIK1SIK2SIK3HSP90AA1
SCHEMBL500931 0.92 SIK1 (0.38) BRD4SIK1SIK2SIK3HSP90AA1
SCHEMBL500882 0.92 HSP90AA1 (0.42) BRD4HSP90AA1HSP90AB1
SCHEMBL501138 0.92 HSP90AB1 (0.41) HSP90AA1HSP90AB1F2F10DDR1
SCHEMBL15382970 0.91 HSP90AA1 (0.35) HSP90AA1HSP90AB1ABL1F2F10
SCHEMBL501394 0.91 BRD4 (0.41) BRD4SIK1SIK2SIK3HSP90AA1
SCHEMBL501136 0.87 PDE4B (0.40) HSP90AA1HSP90AB1
SCHEMBL500895 0.87 SIK1 (0.44) BRD4SIK1SIK2SIK3HSP90AA1
SCHEMBL500725 0.87 BRD4 (0.38) BRD4SIK1SIK2SIK3HSP90AA1
SCHEMBL10233048 0.86 BRD4 (0.41) BRD4HSP90AA1HSP90AB1

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-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-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US disclosed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 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
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 BRD4 168/4885SIK1 1278/4885SIK2 765/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 BRD4 168/4885SIK1 1278/4885SIK2 765/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 BRD4 168/4885SIK1 1278/4885SIK2 765/4885

“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.