SCHEMBL1054374

SCHEMBL1054374

Nc1nc(Cl)c2c(n1)N(CC1CCOCC1)C(=O)C2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.52
HSP90B1 P14625 7/20 0.52
HSP90AA1 P07900 5/20 0.47
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
BACE1 P56817 1/20 0.35
PDE8B O95263 1/20 0.34
BRD4 O60885 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
PIK3CA P42336 3/20 0.34
MTOR P42345 2/20 0.34
RPTOR Q8N122 2/20 0.34
MLST8 Q9BVC4 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL1052371 0.77 TRAP1 (0.46) TRAP1HSP90B1HSP90AA1
SCHEMBL1052264 0.68 TRAP1 (0.73) TRAP1HSP90B1HSP90AA1KDM4EMAPT
SCHEMBL12613439 0.68 ALDH1A1 (0.32) CTSDCTSEBACE1BRD4BAZ2A
SCHEMBL28976701 0.67 CTSD (0.34) CTSDCTSEBACE1PDE8BPIK3CA
SCHEMBL1078262 0.66 HSP90AA1 (0.57) TRAP1HSP90B1HSP90AA1KDM4EMAPT
SCHEMBL1059577 0.65 TRAP1 (0.59) TRAP1HSP90B1HSP90AA1
SCHEMBL1060933 0.65 HSP90AA1 (0.56) TRAP1HSP90B1HSP90AA1TLR7
SCHEMBL1059998 0.65 TRAP1 (0.54) TRAP1HSP90B1HSP90AA1
SCHEMBL1057826 0.65 TRAP1 (0.59) TRAP1HSP90B1HSP90AA1KDM4EMAPT
SCHEMBL1053982 0.65 TRAP1 (0.55) TRAP1HSP90B1HSP90AA1MAPT

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 6 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
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
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
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 TRAP1 443/4885HSP90B1 1036/4885HSP90AA1 1418/4885

“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.