SCHEMBL419803

SCHEMBL419803

CCc1cc(-c2nnc(OC(N)=O)n2-c2cccc3c2ccn3C)c(O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.38
HSP90AA1 P07900 9/20 0.35
HSP90AB1 P08238 9/20 0.35
ASH1L Q9NR48 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
PAX8 Q06710 1/20 0.33
POLQ O75417 1/20 0.33
S1PR1 P21453 1/20 0.31

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
SCHEMBL14184123 0.87 TUBB4A (0.39) HSD11B1HSP90AA1HSP90AB1ASH1LPOLQ
SCHEMBL12694054 0.84 HSD11B1 (0.36) HSD11B1HSP90AA1HSP90AB1ASH1LKDM4E
SCHEMBL9925250 0.82 GOT1 (0.36) HSP90AA1ASH1LGAAMAPT
SCHEMBL2596691 0.81 DAO (0.33) HSP90AA1KDM4EGAAMAPTLMNA
SCHEMBL12180120 0.77 AOC3 (0.38) KDM4EGAAMAPTLMNA
SCHEMBL1148300 0.75 ASH1L (0.36) HSD11B1HSP90AA1ASH1LKDM4EGAA
SCHEMBL12908734 0.75 PDE4D (0.37) HSP90AA1KDM4EGAAMAPTLMNA
SCHEMBL421350 0.74 KDM4E (0.35) HSP90AA1HSP90AB1KDM4EGAAMAPT
SCHEMBL931405 0.74 KMT2A (0.48) KDM4EMAPTLMNA
SCHEMBL444954 0.73 HSP90AA1 (0.39) HSP90AA1HSP90AB1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US claimed
EP-2035396-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-05-14 EP claimed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US claimed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US claimed
US-8053456-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2011-11-08 US claimed
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections SYNTA PHARMACEUTICALS CORP 2008-07-24 US claimed
US-20180221345-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH PLATINUM-CONTAINING AGENTS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2018-08-09 US disclosed
US-20180221345-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH PLATINUM-CONTAINING AGENTS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2018-08-09 US disclosed
US-20180221345-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH PLATINUM-CONTAINING AGENTS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2018-08-09 US disclosed
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. 2017-11-30 US disclosed
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. 2017-11-30 US disclosed
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. 2017-11-30 US disclosed
US-9439899-B2 Cancer therapy using a combination of HSP90 inhibitors with topoisomerase I inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2016-09-13 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20180221345-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH PLATINUM-CONTAINING AGENTS HSP90AB1, HSP90AA1, HSP90B1 HSD11B1 1185/4885HSP90AA1 2/4885HSP90AB1 1/4885
US-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSD11B1 428/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSD11B1 428/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSD11B1 1108/4885HSP90AA1 2/4885HSP90AB1 1/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 HSD11B1 787/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections HSP90AB1, HSP90AB2P, HSP90B1 HSD11B1 1143/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P HSD11B1 464/4885HSP90AA1 2/4885HSP90AB1 1/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 HSD11B1 1444/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 HSD11B1 3353/4885HSP90AA1 3/4885HSP90AB1 1/4885
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 HSD11B1 962/4885HSP90AA1 3/4885HSP90AB1 1/4885

“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.