SCHEMBL14733546

SCHEMBL14733546

[2H]C1([2H])Oc2cc(Br)c(Sc3nc4c(N)ncnc4n3CCC3CCN(C(=O)[C@H](C)OC(C)=O)CC3)cc2O1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.77
HSP90AB1 P08238 20/20 0.77

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
SCHEMBL3121840 0.95 HSP90AA1 (0.85) HSP90AA1HSP90AB1
SCHEMBL3121852 0.95 HSP90AA1 (0.85) HSP90AA1HSP90AB1
SCHEMBL3743667 0.95 HSP90AA1 (0.83) HSP90AA1HSP90AB1
SCHEMBL3743662 0.95 HSP90AA1 (0.83) HSP90AA1HSP90AB1
SCHEMBL14733547 0.91 HSP90AA1 (0.89) HSP90AA1HSP90AB1
SCHEMBL13733739 0.90 HSP90AA1 (0.87) HSP90AA1HSP90AB1
SCHEMBL13895459 0.89 HSP90AA1 (0.88) HSP90AA1HSP90AB1
SCHEMBL13895457 0.89 HSP90AA1 (0.83) HSP90AA1HSP90AB1
SCHEMBL13895607 0.89 HSP90AA1 (0.88) HSP90AA1HSP90AB1
SCHEMBL13895466 0.89 HSP90AA1 (0.82) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MYREXIS, INC. (US) 2013-02-28 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-20130053406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF VHL, TP53, MCL1 HSP90AA1 815/4885HSP90AB1 423/4885

“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.