SCHEMBL1781589

SCHEMBL1781589

Cc1nc(N)nc2c1C(=NO)CC(c1ccc(F)cc1-c1cccnc1)C2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.44
HSP90AB1 P08238 8/20 0.42
TRAP1 Q12931 1/20 0.42

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
SCHEMBL12075133 1.00 HSP90AA1 (0.44) HSP90AA1HSP90AB1TRAP1
SCHEMBL14920498 1.00 HSP90AA1 (0.44) HSP90AA1HSP90AB1TRAP1
SCHEMBL1781588 1.00 HSP90AA1 (0.44) HSP90AA1HSP90AB1TRAP1
SCHEMBL14920501 1.00 HSP90AA1 (0.44) HSP90AA1HSP90AB1TRAP1
SCHEMBL14921019 1.00 HSP90AA1 (0.44) HSP90AA1HSP90AB1TRAP1
SCHEMBL14921203 1.00 HSP90AA1 (0.44) HSP90AA1HSP90AB1TRAP1
SCHEMBL14921201 1.00 HSP90AA1 (0.44) HSP90AA1HSP90AB1TRAP1
SCHEMBL1780042 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1TRAP1
SCHEMBL1780040 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1TRAP1
SCHEMBL1782639 0.90 HSP90AA1 (0.41) HSP90AA1HSP90AB1

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 12 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
WO-2013064919-A1 QUINAZOLINE DERIVATIVES WITH HSP90 INHIBITORY ACTIVITY DAC SRL (IT) 2013-05-10 WO 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
WO-2013064919-A1 QUINAZOLINE DERIVATIVES WITH HSP90 INHIBITORY ACTIVITY DAC SRL (IT) 2013-05-10 WO 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 1/4885TRAP1 16/4885

“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.