SCHEMBL931964

SCHEMBL931964

COc1ccc(-c2nnc(O)n2-c2ccc3c(c2)c(C)cn3C)cc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.34
CACNA1H O95180 3/20 0.34
HSP90AA1 P07900 8/20 0.33
HSP90AB1 P08238 8/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
AVPR1A P37288 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
SCHEMBL8931481 0.86 HSP90AA1 (0.39) HSP90AA1HSP90AB1TUBB4ATUBBTUBA3C
SCHEMBL14328376 0.83 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL419166 0.79 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL12203091 0.76 TUBB4A (0.36) OXTRHSP90AA1HSP90AB1TUBB4ATUBB
SCHEMBL4566153 0.74 CACNA1H (0.32) CACNA1HHSP90AA1HSP90AB1GAA
SCHEMBL12486604 0.72 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL13060042 0.69 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL421461 0.69 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL15759985 0.68 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL421467 0.68 HSP90AA1 (0.39) HSP90AA1HSP90AB1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2019-05-16 US disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP 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-9090569-B2 Triazone compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-07-28 US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US disclosed
US-8993608-B2 Method for inhibiting topoisomerase II SYNTA PHARMACEUTICALS CORP. (US) 2015-03-31 US disclosed
US-8969396-B2 Method for treating a B-raf associated cancer with an Hsp90 inhibitor SYNTA PHARMACEUTICALS CORP. (US) 2015-03-03 US disclosed
US-20140221375-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET SYNTA PHARMACEUTICALS CORP. (US) 2014-08-07 US disclosed
US-20140141511-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2014-05-22 US disclosed
US-8648104-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2014-02-11 US disclosed
US-20110046125-A1 METHOD FOR TREATING INFECTIONS SYNTA PHARMACEUTICALS CORP. (US) 2011-02-24 US disclosed
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-01-13 US disclosed
US-20100280032-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-11-04 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-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-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. 2010-09-30 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 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-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 (13 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-20140221375-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET HSP90AB1, HSP90B1, HSP90AA1 OXTR 4601/4885CACNA1H 4786/4885HSP90AA1 3/4885
US-20100280032-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 OXTR 2856/4885CACNA1H 4342/4885HSP90AA1 531/4885
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 OXTR 4767/4885CACNA1H 4866/4885HSP90AA1 3/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P OXTR 3370/4885CACNA1H 4845/4885HSP90AA1 2/4885
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AB2P, HSP90AA1 OXTR 4822/4885CACNA1H 4825/4885HSP90AA1 3/4885
US-20140141511-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 OXTR 2856/4885CACNA1H 4342/4885HSP90AA1 531/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 OXTR 4776/4885CACNA1H 4637/4885HSP90AA1 4/4885
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 OXTR 4777/4885CACNA1H 4437/4885HSP90AA1 8/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 OXTR 2856/4885CACNA1H 4342/4885HSP90AA1 531/4885
US-20110046125-A1 METHOD FOR TREATING INFECTIONS HSP90AB1, HSP90B1, HSP90AA1 OXTR 4622/4885CACNA1H 4663/4885HSP90AA1 3/4885
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET HSP90AB1, HSP90B1, HSP90AA1 OXTR 4601/4885CACNA1H 4786/4885HSP90AA1 3/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 OXTR 4767/4885CACNA1H 4866/4885HSP90AA1 3/4885
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 OXTR 4854/4885CACNA1H 4858/4885HSP90AA1 3/4885

“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.