SCHEMBL1782639

SCHEMBL1782639

Cc1nc(N)nc2c1/C(=N\O)CC(c1ccccc1-c1cccnc1)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PKM P14618 1/20 0.35
BRAF P15056 2/20 0.35
PDK2 Q15119 1/20 0.35
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34

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
SCHEMBL12075179 1.00 HSP90AA1 (0.41) HSP90AA1HSP90AB1ADRA2AADRA1DADRA1A
SCHEMBL1782643 1.00 HSP90AA1 (0.41) HSP90AA1HSP90AB1ADRA2AADRA1DADRA1A
SCHEMBL1779957 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL1779960 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL12075134 0.90 HSP90AA1 (0.42) HSP90AA1HSP90AB1ADRA2AADRA1DADRA1A
SCHEMBL1781377 0.90 HSP90AA1 (0.42) HSP90AA1HSP90AB1ADRA2AADRA1DADRA1A
SCHEMBL1781378 0.90 HSP90AA1 (0.42) HSP90AA1HSP90AB1ADRA2AADRA1DADRA1A
SCHEMBL1781589 0.90 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL14921203 0.90 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL14920498 0.90 HSP90AA1 (0.44) 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 8 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
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 1/4885ADRA2A 2545/4885

“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.