SCHEMBL3739656

SCHEMBL3739656

Nc1ncnc2c1nc(Sc1ccc3c(c1)OCO3)n2CCC1CCN(C(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.66
HSP90AB1 P08238 20/20 0.66

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
SCHEMBL13731589 0.95 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL3125115 0.93 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL3532107 0.89 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL13080863 0.88 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL3123905 0.86 HSP90AA1 (0.87) HSP90AA1HSP90AB1
SCHEMBL3125177 0.86 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL3537857 0.85 HSP90AA1 (0.70) HSP90AA1HSP90AB1
SCHEMBL13731242 0.85 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL3525878 0.84 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL3124014 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012148550-A1 PRODRUGS OF THERAPEUTIC COMPOUNDS MYREXIS, INC. (US) 2012-11-01 WO disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR HSP90AA1 659/4885HSP90AB1 501/4885

“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.