SCHEMBL1790659

SCHEMBL1790659

Nc1nc(Cl)c2ncc(=O)n(Cc3cc4c(cc3Cl)OCO4)c2n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.57
TRAP1 Q12931 10/20 0.57
HSP90B1 P14625 8/20 0.57
ADORA2A P29274 4/20 0.47
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AB1 P08238 2/20 0.39
ERBB2 P04626 1/20 0.38

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
SCHEMBL3392282 0.81 ADORA2A (0.68) HSP90AA1TRAP1HSP90B1ADORA2AHSP90AB1
SCHEMBL20118818 0.74 HSP90AA1 (0.79) HSP90AA1TRAP1HSP90B1ADORA2AHSP90AB1
SCHEMBL28729012 0.70 ADORA2A (0.52) HSP90AA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL12614570 0.65 HSP90AA1 (0.70) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL3834423 0.64 HSP90AA1 (0.43) HSP90AA1TRAP1HSP90B1ADORA2AKDM4E
SCHEMBL20118704 0.64 HSP90AA1 (0.78) HSP90AA1TRAP1HSP90B1ADORA2AHSP90AB1
SCHEMBL28729163 0.63 ADORA2A (0.68) ADORA2A
SCHEMBL28729013 0.63 ADORA2A (0.46) ADORA2A
SCHEMBL20118703 0.63 HSP90AA1 (0.76) HSP90AA1TRAP1HSP90B1ADORA2AHSP90AB1
SCHEMBL20118580 0.63 HSP90AA1 (1.00) HSP90AA1TRAP1HSP90B1ADORA2AHSP90AB1

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
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US 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 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.