SCHEMBL184907

SCHEMBL184907

CC(C)c1cc(C2=NNC(=O)CN2c2ccc3c(ccn3C)c2)c(O)cc1O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.58
HSP90AB1 P08238 20/20 0.58
HSP90B1 P14625 1/20 0.58
TRAP1 Q12931 1/20 0.58

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
SCHEMBL31296853 0.84 HSP90AA1 (0.56) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL22631148 0.79 HSP90AA1 (0.56) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL184321 0.79 HSP90AB1 (0.48) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL184460 0.77 HSP90AA1 (0.40) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL184104 0.77 HSP90AB1 (0.49) HSP90AA1HSP90AB1
SCHEMBL1852028 0.76 HSP90AA1 (0.49) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL15042829 0.75 HSP90AA1 (0.56) HSP90AA1HSP90AB1HSP90B1TRAP1
Ganetespib SCHEMBL29352120 0.73 HSP90AB1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
Ganetespib SCHEMBL29376128 0.73 HSP90AB1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
Ganetespib SCHEMBL419750 0.73 HSP90AB1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524712-B2 Triazinone and diazinone derivatives useful as HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US claimed
EP-2155694-B1 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP (US) 2012-01-04 EP claimed
US-20100298331-A1 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP. 2010-11-25 US claimed
EP-2155694-A2 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS Synta Pharmaceuticals Corporation (US) 2010-02-24 EP claimed
WO-2008118391-A2 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2008-10-02 WO claimed
US-20130345219-A1 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2013-12-26 US disclosed
US-8524712-B2 Triazinone and diazinone derivatives useful as HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-8524712-B2 Triazinone and diazinone derivatives useful as HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-8524712-B2 Triazinone and diazinone derivatives useful as HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
EP-2155694-B1 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP (US) 2012-01-04 EP disclosed
EP-2155694-B1 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP (US) 2012-01-04 EP disclosed
US-20100298331-A1 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP. 2010-11-25 US disclosed
US-20100298331-A1 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP. 2010-11-25 US disclosed
US-20100298331-A1 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP. 2010-11-25 US disclosed
EP-2155694-A2 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS Synta Pharmaceuticals Corporation (US) 2010-02-24 EP disclosed
WO-2008118391-A2 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2008-10-02 WO disclosed
WO-2008118391-A2 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2008-10-02 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 (2 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-20100298331-A1 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885HSP90B1 3/4885
US-20130345219-A1 TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885HSP90B1 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.