SCHEMBL420102

SCHEMBL420102

CCCCCn1ccc2c(-n3c(S)nnc3-c3cc(CC)c(O)cc3O)cccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.34
CDC25A P30304 1/20 0.34
ICMT O60725 6/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
ENPP2 Q13822 1/20 0.33
LMNA P02545 1/20 0.33
PAX8 Q06710 1/20 0.33
HTR2C P28335 1/20 0.33
CNR1 P21554 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
SCHEMBL420105 0.99 CDC25A (0.35) CNR2CDC25AICMTKDM4EGAA
SCHEMBL421157 0.97 KDM4E (0.34) CNR2KDM4EGAAMAPTLMNA
SCHEMBL421396 0.93 GAA (0.35) CNR2KDM4EGAAMAPTLMNA
SCHEMBL8930902 0.89 GAA (0.34) KDM4EGAAMAPTLMNAPAX8
SCHEMBL419132 0.84 TUBB4A (0.33) CNR2ICMTKDM4EGAAMAPT
SCHEMBL420062 0.82 KDM4E (0.35) KDM4EGAAMAPTLMNAPAX8
SCHEMBL421158 0.82 HSP90AA1 (0.42) CNR2KDM4EGAAMAPTLMNA
SCHEMBL419822 0.81 HSP90AA1 (0.42) CNR2CDC25AICMTKDM4EGAA
SCHEMBL443161 0.80 KDM4E (0.32) KDM4EGAAMAPTLMNAPAX8
SCHEMBL419131 0.79 HSP90AA1 (0.41) KDM4EGAAMAPTLMNAPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. 2017-11-30 US claimed
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US claimed
US-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2015-04-09 US claimed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US claimed
EP-2849751-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2015-03-25 EP claimed
US-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2014-07-10 US claimed
EP-2678014-A2 PROSTATE CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2014-01-01 EP claimed
EP-2663305-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH PROTEASOME INHIBITORS Synta Pharmaceuticals Corp. (US) 2013-11-20 EP claimed
WO-2013170159-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 WO claimed
EP-2648708-A2 COMBINATION FOR BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2013-10-16 EP claimed
US-8034834-B2 Method for treating proliferative disorders with HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2011-10-11 US claimed
WO-2011049946-A1 COMBINATION CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-04-28 WO claimed
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 claimed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US claimed
EP-2054059-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-05-06 EP claimed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO claimed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP claimed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO claimed
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 claimed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 WO claimed

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

For each of this compound's patents that has machine-readable text (7 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-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS ROS1, RET, HSP90AB1 CNR2 4858/4885CDC25A 1894/4885ICMT 4133/4885
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 CNR2 4440/4885CDC25A 301/4885ICMT 4261/4885
US-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 CNR2 4440/4885CDC25A 301/4885ICMT 4261/4885
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 CNR2 4606/4885CDC25A 593/4885ICMT 4762/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P CNR2 2393/4885CDC25A 1459/4885ICMT 4777/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P CNR2 4522/4885CDC25A 237/4885ICMT 3804/4885
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 CNR2 4356/4885CDC25A 180/4885ICMT 3529/4885

“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.