SCHEMBL442460

SCHEMBL442460

CCc1cc(-c2nnc(O)n2-c2cn(C(C)C)c3ccccc23)c(O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
LMNA P02545 2/20 0.36
PAX8 Q06710 1/20 0.36
GSK3B P49841 1/20 0.36
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
HSP90AA1 P07900 5/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
HSP90AB1 P08238 2/20 0.33
CREBBP Q92793 1/20 0.32
HPGD P15428 2/20 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
SCHEMBL419119 0.87 KDM4E (0.36) KDM4EGAAMAPTLMNAPAX8
SCHEMBL930746 0.78 HSP90AA1 (0.38) KDM4EGAAMAPTLMNAPAX8
SCHEMBL14345676 0.78 EZH2 (0.32) KDM4EGAAMAPT
SCHEMBL421350 0.77 KDM4E (0.35) KDM4EGAAMAPTLMNAPAX8
SCHEMBL420062 0.77 KDM4E (0.35) KDM4EGAAMAPTLMNAPAX8
SCHEMBL444954 0.73 HSP90AA1 (0.39) KDM4EGAAMAPTHSP90AA1HSP90AB1
SCHEMBL1881956 0.72 NPEPPS (0.37) KDM4EGAAMAPTLMNAPAX8
SCHEMBL420145 0.72 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL1148731 0.71 CA12 (0.40) KDM4EGAAMAPTCA12CA1
SCHEMBL419802 0.70 HSP90AA1 (0.51) HSP90AA1HSP90AB1

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-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US claimed
CN-101072759-B Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP 2013-06-19 CN claimed
WO-2011146801-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO 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-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-9402831-B2 Combination therapy of HSP90 inhibitors with BRAF inhibitors SYNTA PHARMACEUTICAL CORP. (US) 2016-08-02 US disclosed
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
US-20160120849-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR SYNTA PHARMACEUTICALS CORP (US) 2016-05-05 US disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
US-9205086-B2 Cancer therapy using a combination of a Hsp90 inhibitory compounds and a EGFR inhibitor SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 US disclosed
WO-2011146801-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO disclosed
EP-2298748-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-23 EP disclosed
EP-2295416-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-16 EP 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-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 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 (9 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 KDM4E 4010/4885GAA 989/4885MAPT 34/4885
US-20160120849-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR EGFR, HSP90AB1, HSP90AA1 KDM4E 3747/4885GAA 930/4885MAPT 34/4885
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 2835/4885GAA 589/4885MAPT 63/4885
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 KDM4E 2948/4885GAA 1235/4885MAPT 128/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 3814/4885GAA 1169/4885MAPT 1902/4885
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AB2P, HSP90AA1 KDM4E 3421/4885GAA 803/4885MAPT 2896/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 4422/4885GAA 543/4885MAPT 552/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 KDM4E 3500/4885GAA 720/4885MAPT 3107/4885
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 KDM4E 3383/4885GAA 2305/4885MAPT 2876/4885

“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.