SCHEMBL931504

SCHEMBL931504

Oc1ccc(-c2nnc(S)n2Cc2cccc3ccccc23)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 6/20 0.42
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HSP90AB1 P08238 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
P2RX7 Q99572 1/20 0.37
HSP90AA1 P07900 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
NPY1R P25929 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPY2R P49146 1/20 0.36

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
SCHEMBL14345087 0.87 KDM4E (0.41) PIK3C2BCYP2C19KDM4EHSP90AB1ALDH1A1
SCHEMBL8931076 0.77 KMT2A (0.52) KDM4EHSP90AB1ALDH1A1LMNAHPGD
SCHEMBL930617 0.77 HSP90AA1 (0.42) HSP90AB1ALDH1A1HPGDKMT2AHSP90AA1
SCHEMBL931408 0.74 ESR1 (0.41) CYP2C19ALDH1A1LMNAKMT2AHSP90AA1
SCHEMBL931254 0.71 ESR1 (0.44) KDM4EALDH1A1KMT2AHSP90AA1MEN1
SCHEMBL932110 0.70 HSP90AA1 (0.39) KDM4EHSP90AB1ALDH1A1HPGDHSP90AA1
SCHEMBL930660 0.69 HSP90AA1 (0.49) KMT2AHSP90AA1POLBMEN1
SCHEMBL930745 0.69 HSP90AA1 (0.61) ALDH1A1LMNAHPGDHSP90AA1
SCHEMBL14345566 0.69 HSP90AA1 (0.42) KDM4EHSP90AB1ALDH1A1LMNAHPGD
SCHEMBL931818 0.69 HSP90AA1 (0.43) HSP90AB1ALDH1A1HPGDKMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP 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-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9090569-B2 Triazone compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-07-28 US disclosed
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
WO-2007139951-A9 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS SYNTA PHARMACEUTICALS CORP (US) 2008-01-31 WO 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-2007139951-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS 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
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 (5 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-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 PIK3C2B 4375/4885CYP2C19 4071/4885KDM4E 2790/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P PIK3C2B 2526/4885CYP2C19 398/4885KDM4E 4422/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 PIK3C2B 1600/4885CYP2C19 3571/4885KDM4E 3500/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 PIK3C2B 1080/4885CYP2C19 3915/4885KDM4E 2879/4885
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 PIK3C2B 2927/4885CYP2C19 3892/4885KDM4E 3383/4885

“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.