SCHEMBL445190

SCHEMBL445190

Oc1ccc(-c2nnc(S)n2-c2cccc3[nH]ccc23)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB1 P08588 1/20 0.36
HTR6 P50406 1/20 0.36
GOT1 P17174 5/20 0.35
GAA P10253 4/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
GUSB P08236 1/20 0.35
PHGDH O43175 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL14342531 0.81 GOT1 (0.35) MAPTMEN1KMT2AADRB1HTR6
SCHEMBL930617 0.81 HSP90AA1 (0.42) HSP90AA1MAPTMEN1NPC1HPGD
SCHEMBL1148079 0.81 MAPT (0.36) HSP90AA1MAPTMEN1NPC1HPGD
SCHEMBL932110 0.79 HSP90AA1 (0.39) HSP90AA1HPGDGAA
SCHEMBL806229 0.78 KDM4E (0.52) HSP90AA1MAPTHPGDSMN1; SMN2GAA
SCHEMBL445101 0.77 GAA (0.39) HSP90AA1MAPTMEN1HTTKMT2A
SCHEMBL931410 0.77 MAPT (0.43) HSP90AA1MAPTMEN1HPGDHTT
SCHEMBL17461661 0.77 ESR1 (0.39) HSP90AA1MEN1NPC1HPGDRAB9A
SCHEMBL16754913 0.77 HSP90AA1 (0.41) HSP90AA1MAPTMEN1NPC1RAB9A
SCHEMBL931744 0.77 ESR1 (0.48) HSP90AA1MAPTMEN1NPC1HPGD

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 256 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-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
EP-2616063-A1 HSP90 INHIBITORS FOR TREATING NON-SMALL CELL LUNG CANCERS IN WILD-TYPE EGFR AND/OR KRAS PATIENTS Synta Pharmaceuticals Corp. (US) 2013-07-24 EP claimed
WO-2011133520-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-10-27 WO claimed
WO-2011133521-A2 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A VEGF INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-10-27 WO 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-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 (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-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS ROS1, RET, HSP90AB1 HSP90AA1 4/4885MAPT 39/4885MEN1 3824/4885
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885MAPT 128/4885MEN1 3704/4885
US-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885MAPT 128/4885MEN1 3704/4885
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885MAPT 2568/4885MEN1 4527/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885MAPT 1902/4885MEN1 4827/4885
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 HSP90AA1 3/4885MAPT 2876/4885MEN1 4120/4885

“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.