SCHEMBL1343551

SCHEMBL1343551

CN(C)C(=O)c1ccc(-c2c(S)nnn2-c2ccc(O)cc2O)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 14/20 0.35
PDK2 Q15119 12/20 0.34
HSP90AA1 P07900 2/20 0.34
PDK4 Q16654 11/20 0.34
PDK3 Q15120 10/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1148014 0.87 ALDH1A1 (0.38) HSP90AA1KDM4EMEN1KMT2APOLB
SCHEMBL1148368 0.82 ESR1 (0.44) HSP90AA1KDM4EMEN1KMT2AMAPT
SCHEMBL5080669 0.81 HSP90AA1 (0.34) PDK1PDK2HSP90AA1PDK4PDK3
SCHEMBL1147966 0.79 ESR1 (0.37) HSP90AA1KDM4EMEN1KMT2AMAPT
SCHEMBL930756 0.78 ESR1 (0.39) HSP90AA1MEN1KMT2AMAPTHTT
SCHEMBL1147866 0.77 HSD11B1 (0.32) HSP90AA1
SCHEMBL931576 0.76 PDK2 (0.37) PDK1PDK2HSP90AA1PDK4PDK3
SCHEMBL1147838 0.76 KCNN4 (0.33) HSP90AA1MAPTESR1ESR2
SCHEMBL1148629 0.76 ALOX5 (0.44) HSP90AA1KMT2AGFERALDH1A1HSD17B10
SCHEMBL1147862 0.76 HSP90AA1 (0.38) HSP90AA1KDM4EMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817295-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2012-11-07 EP claimed
US-8188075-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-29 US claimed
EP-2298748-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-23 EP claimed
US-7825148-B2 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer SYNTA PHARMACEUTICALS CORP. (US) 2010-11-02 US claimed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US claimed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP claimed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO claimed
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-07-27 US claimed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 WO claimed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2010-10-28 US disclosed
WO-2008112199-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. (US) 2008-09-18 WO disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING 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 (8 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-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90AB2P PDK1 3286/4885PDK2 2771/4885HSP90AA1 2/4885
US-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 PDK1 2530/4885PDK2 1453/4885HSP90AA1 8/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P PDK1 3124/4885PDK2 2571/4885HSP90AA1 2/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 PDK1 1229/4885PDK2 1643/4885HSP90AA1 4/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 PDK1 3809/4885PDK2 2477/4885HSP90AA1 531/4885
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET HSP90AB1, HSP90B1, HSP90AA1 PDK1 2094/4885PDK2 2829/4885HSP90AA1 3/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 PDK1 1053/4885PDK2 2461/4885HSP90AA1 3/4885
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer HSP90AB1, HSP90AB2P, HSP90AA1 PDK1 2135/4885PDK2 1937/4885HSP90AA1 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.