SCHEMBL1344029

SCHEMBL1344029

CCc1cc(-c2cnc(S)n2-c2cccc3c2ccn3C(C)C)c(O)cc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
NPY1R P25929 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL1147429 0.86 KDM4E (0.33) KDM4EGAAMAPTHPGDHSD17B10
SCHEMBL1148419 0.85 KDM4E (0.34) KDM4EGAAMAPTHPGDHSD17B10
SCHEMBL1148798 0.84 PIK3CD (0.31) HSP90AA1
SCHEMBL420062 0.83 KDM4E (0.35) KDM4EGAAMAPTHPGDHSD17B10
SCHEMBL1148677 0.81 KMT2A (0.33) GAAALOX15ALOX12HSP90AA1HSP90AB1
SCHEMBL419119 0.81 KDM4E (0.36) KDM4EGAAMAPTHPGDHSD17B10
SCHEMBL421350 0.78 KDM4E (0.35) KDM4EGAAMAPTHPGDHSD17B10
SCHEMBL419802 0.77 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL1343839 0.77 KDM4E (0.33) KDM4EGAAMAPTHPGDHSD17B10
SCHEMBL420065 0.76 HSP90AA1 (0.42) KDM4EGAAMAPTHPGDHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-07 US disclosed
US-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-07 US disclosed
US-9156794-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
US-9156794-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 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
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
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 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
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 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
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products 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
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-04-19 US disclosed
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-04-19 US disclosed
WO-2007021877-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-02-22 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 (5 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-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 2790/4885GAA 107/4885MAPT 3136/4885
US-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90B1 KDM4E 3212/4885GAA 1026/4885MAPT 2965/4885
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET HSP90AB1, HSP90B1, HSP90AA1 KDM4E 3577/4885GAA 575/4885MAPT 3028/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 KDM4E 2879/4885GAA 320/4885MAPT 2568/4885
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90B1 KDM4E 3212/4885GAA 1026/4885MAPT 2965/4885

“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.