SCHEMBL1782320

SCHEMBL1782320

CCCON=C1CC(c2ccccc2-c2ccccc2)Cc2nc(N)nc(C)c21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.42
HSP90AB1 P08238 5/20 0.42
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TRAP1 Q12931 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
NUDT1 P36639 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL12075127 1.00 HSP90AA1 (0.42) HSP90AA1HSP90AB1MAPTNPSR1TRAP1
SCHEMBL1783668 0.94 HSP90AA1 (0.41) HSP90AA1HSP90AB1MAPTNPSR1TRAP1
SCHEMBL12075129 0.94 HSP90AA1 (0.41) HSP90AA1HSP90AB1MAPTNPSR1TRAP1
SCHEMBL1782557 0.92 HSP90AA1 (0.43) HSP90AA1HSP90AB1MAPTNPSR1TRAP1
SCHEMBL12075696 0.92 HSP90AA1 (0.43) HSP90AA1HSP90AB1MAPTNPSR1TRAP1
SCHEMBL12075607 0.90 HSP90AA1 (0.39) HSP90AA1HSP90AB1KDM4E
SCHEMBL1779785 0.90 HSP90AA1 (0.39) HSP90AA1HSP90AB1KDM4E
SCHEMBL12075354 0.90 HSP90AA1 (0.40) HSP90AA1HSP90AB1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1783869 0.90 HSP90AA1 (0.40) HSP90AA1HSP90AB1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1781428 0.88 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1KDM4ESMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US claimed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP claimed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US claimed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP claimed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO claimed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 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-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885MAPT 296/4885

“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.