SCHEMBL12651963

SCHEMBL12651963

COc1c(C)cnc(CN2C(=O)Cc3c(C)nc(N)nc32)c1C

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.59
HSP90AB1 P08238 18/20 0.59
TRAP1 Q12931 2/20 0.48
HSP90B1 P14625 1/20 0.48

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
SCHEMBL1052242 0.91 HSP90AA1 (0.62) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL1061343 0.87 HSP90AA1 (0.52) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL5566304 0.82 HSP90AA1 (0.53) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL3391833 0.77 HSP90AA1 (0.57) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL13539742 0.75 HSP90AA1 (0.59) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL12613318 0.75 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL1059089 0.74 HSP90AA1 (0.68) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL3089009 0.74 HSP90AA1 (0.84) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL13539655 0.74 HSP90AA1 (0.50) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL3793290 0.73 HSP90AA1 (0.64) HSP90AA1HSP90AB1TRAP1HSP90B1

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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 HSP90AA1 1418/4885HSP90AB1 667/4885TRAP1 443/4885

“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.