SCHEMBL1060436

SCHEMBL1060436

Nc1nc(Cl)c2c(n1)N(Cc1ncc(C(F)(F)F)cc1Cl)C(=O)C2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.66
HSP90B1 P14625 7/20 0.55
HSP90AA1 P07900 5/20 0.51
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL12615628 0.84 HSP90AA1 (0.59) TRAP1HSP90B1HSP90AA1
SCHEMBL27831901 0.78 TRAP1 (0.43) TRAP1HSP90B1TDP1POLBMAPT
SCHEMBL1060637 0.77 TRAP1 (0.63) TRAP1HSP90B1HSP90AA1
SCHEMBL31268670 0.76 TDP1 (0.48) HSP90AA1TDP1POLBMAPTL3MBTL1
SCHEMBL3391833 0.75 HSP90AA1 (0.57) TRAP1HSP90B1HSP90AA1
SCHEMBL13539655 0.74 HSP90AA1 (0.50) TRAP1HSP90B1HSP90AA1
SCHEMBL13539742 0.73 HSP90AA1 (0.59) TRAP1HSP90B1HSP90AA1
SCHEMBL1052242 0.72 HSP90AA1 (0.62) TRAP1HSP90B1HSP90AA1
SCHEMBL1060933 0.71 HSP90AA1 (0.56) TRAP1HSP90B1HSP90AA1
SCHEMBL1080760 0.70 TRAP1 (0.56) TRAP1HSP90B1HSP90AA1MAPTKDM4E

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 5 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
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.