SCHEMBL1059052

SCHEMBL1059052

COc1c(C)cc(CN2C(=O)Cc3c(Cl)nc(N)nc32)nc1C

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.59
TRAP1 Q12931 9/20 0.59
HSP90B1 P14625 7/20 0.59
HSP90AB1 P08238 11/20 0.40

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
SCHEMBL3391877 0.79 TRAP1 (0.69) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1052242 0.78 HSP90AA1 (0.62) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1059521 0.77 HSP90AA1 (0.71) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1054540 0.77 TRAP1 (0.57) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1078262 0.76 HSP90AA1 (0.57) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL14453511 0.76 HSP90AA1 (0.56) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL13539638 0.76 HSP90AA1 (0.56) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1060933 0.75 HSP90AA1 (0.56) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL3396057 0.75 HSP90AA1 (0.71) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1057826 0.73 TRAP1 (0.59) HSP90AA1TRAP1HSP90B1

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 3 patents. 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
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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 (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 1418/4885TRAP1 443/4885HSP90B1 1036/4885

“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.