SCHEMBL419132

SCHEMBL419132

CCc1cc(-c2nnc(S)n2-c2cccc3c2ccn3CC2CC2)c(O)cc1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
ICMT O60725 4/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 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
SCHEMBL8930902 0.89 GAA (0.34) HTR2CKDM4EGAAMAPTLMNA
SCHEMBL421396 0.87 GAA (0.35) HTR2CKDM4EGAAMAPTCNR2
SCHEMBL421157 0.85 KDM4E (0.34) HTR2AHTR2CKDM4EGAAMAPT
SCHEMBL420102 0.84 CNR2 (0.34) ICMTHTR2CKDM4EGAAMAPT
SCHEMBL420105 0.84 CDC25A (0.35) ICMTKDM4EGAAMAPTCNR2
SCHEMBL419823 0.83 HSP90AA1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12047056 0.82 TUBB4A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL420062 0.81 KDM4E (0.35) KDM4EGAAMAPTLMNAPAX8
SCHEMBL443161 0.79 KDM4E (0.32) KDM4EGAAMAPTLMNAPAX8
SCHEMBL931450 0.78 ESR1 (0.36) 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 129 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9439899-B2 Cancer therapy using a combination of HSP90 inhibitors with topoisomerase I inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2016-09-13 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
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
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO 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
WO-2007139960-A2 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME 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
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 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 (6 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 TUBB4A 49/4885TUBB 43/4885TUBA3C 87/4885
US-20160120849-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR EGFR, HSP90AB1, HSP90AA1 TUBB4A 39/4885TUBB 38/4885TUBA3C 98/4885
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 TUBB4A 321/4885TUBB 227/4885TUBA3C 469/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 TUBB4A 52/4885TUBB 38/4885TUBA3C 109/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 TUBB4A 356/4885TUBB 190/4885TUBA3C 200/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 TUBB4A 159/4885TUBB 86/4885TUBA3C 178/4885

“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.