SCHEMBL929610

SCHEMBL929610

CCc1cc(-c2nnc(S)n2-c2ccc3c(c2)CC(=O)N3C)c(O)cc1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.36
BMPR1A P36894 6/20 0.36
ACVRL1 P37023 6/20 0.36
ACVR1 Q04771 6/20 0.36
BMPR1B O00238 5/20 0.36
TGFBR1 P36897 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
CDC25C P30307 1/20 0.33
DUSP3 P51452 1/20 0.33
HSP90AA1 P07900 3/20 0.32
HSP90AB1 P08238 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
THRB P10828 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
SCHEMBL14305421 0.90 POLB (0.38) TRIM24BMPR1AACVRL1ACVR1BMPR1B
SCHEMBL931647 0.83 NPC1 (0.34) GAAMAPTHSP90AA1HSP90AB1PKM
SCHEMBL4566864 0.80 HSP90AA1 (0.42) BMPR1AACVRL1ACVR1BMPR1BTGFBR1
SCHEMBL930067 0.80 CRBN (0.37) GAA
SCHEMBL795466 0.79 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL3702596 0.78 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL13983495 0.78 HSP90AA1 (0.33) GAAMAPTHSP90AA1HSP90AB1LMNA
SCHEMBL2598394 0.77 HSP90AA1 (0.30) HSP90AA1HSP90AB1
SCHEMBL1148450 0.76 HSP90AA1 (0.32) GAAMAPTHSP90AA1HSP90AB1LMNA
SCHEMBL14313514 0.76 KDM4E (0.31) GAAHSP90AA1HSP90AB1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011146801-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO claimed
EP-2034996-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-03-18 EP claimed
WO-2007139955-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO claimed
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2019-05-16 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
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
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-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
WO-2007139960-A2 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007139955-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007139955-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007140002-A2 METHOD FOR TREATING NON-HODGKIN'S LYMPHOMA SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP disclosed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO disclosed
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 disclosed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 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-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 TRIM24 3043/4885BMPR1A 4483/4885ACVRL1 4842/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 TRIM24 3043/4885BMPR1A 4483/4885ACVRL1 4842/4885
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 TRIM24 401/4885BMPR1A 4693/4885ACVRL1 4633/4885

“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.