SCHEMBL3301790

SCHEMBL3301790

CCc1cc(-c2nnc(S)n2-c2ccc3c(c2)c(CC)cn3C)c(O)cc1O.[Na].[Na]

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.40
HSP90AB1 P08238 17/20 0.40
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
PAX8 Q06710 1/20 0.32
KCNH2 Q12809 1/20 0.32
HSP90B1 P14625 1/20 0.31
TRAP1 Q12931 1/20 0.31

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
SCHEMBL419851 0.99 HSP90AA1 (0.40) HSP90AA1HSP90AB1KDM4EGAAMAPT
SCHEMBL3301787 0.98 HSP90AA1 (0.40) HSP90AA1HSP90AB1KDM4EGAAMAPT
SCHEMBL419020 0.92 HSP90AA1 (0.38) HSP90AA1HSP90AB1KDM4EGAAMAPT
SCHEMBL421098 0.88 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL421131 0.84 HSP90AA1 (0.36) HSP90AA1HSP90AB1KDM4EGAAMAPT
SCHEMBL1304724 0.83 HSP90AA1 (0.36) HSP90AA1HSP90AB1KDM4EGAAMAPT
SCHEMBL419879 0.82 HSP90AA1 (0.53) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL421467 0.81 HSP90AA1 (0.39) HSP90AA1HSP90AB1KDM4EGAAMAPT
SCHEMBL421415 0.81 HSP90AA1 (0.36) HSP90AA1HSP90AB1KDM4EGAAMAPT
SCHEMBL421085 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188075-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-29 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 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 (1 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-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885KDM4E 3814/4885

“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.