SCHEMBL8931410

SCHEMBL8931410

CN1CCN(C(=O)Oc2ccc(-c3nnc(S)n3-c3cccc4ccccc34)c(O)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.45
HTR1B P28222 8/20 0.45
HTR1A P08908 7/20 0.45
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HTR2C P28335 1/20 0.38
EPHX1 P07099 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 1/20 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
SCHEMBL12844753 0.92 HTR1D (0.39) HTR1DHTR1BHTR1AADORA2AADORA1
SCHEMBL930819 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1FNTAFNTBKDM4E
SCHEMBL929308 0.77 FNTA (0.41) HSP90AA1HSP90AB1FNTAFNTBKDM4E
SCHEMBL2265209 0.77 HSP90AA1 (0.45) HSP90AA1HSP90AB1FNTAFNTBKDM4E
SCHEMBL930617 0.77 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL1304456 0.76 HSP90AA1 (0.55) HTR1DHTR1BHTR1AHSP90AA1HSP90AB1
SCHEMBL1304384 0.76 HSP90AA1 (0.67) HTR1DHTR1BHTR1AHSP90AA1HSP90AB1
SCHEMBL8931421 0.75 HSP90AA1 (0.44) HSP90AA1HSP90AB1FNTAFNTBKDM4E
SCHEMBL931500 0.75 HSP90AA1 (0.54) HTR1DHTR1BHTR1AHSP90AA1HSP90AB1
SCHEMBL8931422 0.74 HSP90AA1 (0.42) HSP90AA1HSP90AB1FNTAFNTBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
US-8901308-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-12-02 US disclosed
US-8901308-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-12-02 US disclosed
US-8362055-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8362055-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-20120330009-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2012-12-27 US disclosed
US-20120330009-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2012-12-27 US disclosed
EP-1817295-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2012-11-07 EP disclosed
US-8188075-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-29 US disclosed
US-20110105749-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-05-05 US disclosed
US-20110105749-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-05-05 US disclosed
EP-2298748-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-23 EP disclosed
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-01-13 US disclosed
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-01-13 US disclosed
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 disclosed
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 disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 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-20120330009-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HTR1D 4145/4885HTR1B 4062/4885HTR1A 4045/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P HTR1D 3215/4885HTR1B 2634/4885HTR1A 2644/4885
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AB2P, HSP90AA1 HTR1D 4104/4885HTR1B 3764/4885HTR1A 3922/4885
US-20110105749-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HTR1D 4145/4885HTR1B 4062/4885HTR1A 4045/4885

“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.