SCHEMBL184460

SCHEMBL184460

COc1ccc(COc2cc(OCc3ccc(OC)cc3)c(C(C)C)cc2C2=NNC(=O)CN2c2ccc3c(ccn3C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.40
HSP90AB1 P08238 16/20 0.40
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
CHRNA7 P36544 1/20 0.34
MAP3K11 Q16584 1/20 0.34
CACNA1H O95180 1/20 0.33
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 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
SCHEMBL3663634 0.86 HSP90AA1 (0.38) HSP90AA1HSP90AB1HSP90B1TRAP1CHRNA7
SCHEMBL184907 0.77 HSP90AA1 (0.58) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL14123937 0.71 HSP90AB1 (0.64) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1852028 0.68 HSP90AA1 (0.49) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1304291 0.67 HSP90AA1 (0.54) HSP90AA1HSP90AB1
SCHEMBL2268041 0.67 HSP90AB1 (0.57) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1148585 0.66 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL12060302 0.66 HSP90AB1 (0.66) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL12047274 0.66 HSP90AB1 (0.63) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3665914 0.65 KEAP1 (0.38) HSP90AA1HSP90AB1CHRNA7CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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.