SCHEMBL1780583

SCHEMBL1780583

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.51
HSP90AB1 P08238 4/20 0.51
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALPL P05186 1/20 0.40
TRAP1 Q12931 1/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM4 P08173 1/20 0.35
POLB P06746 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
SCHEMBL12075172 1.00 HSP90AA1 (0.51) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL1780582 1.00 HSP90AA1 (0.51) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL1782013 0.90 HSP90AA1 (0.53) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL1782014 0.90 HSP90AA1 (0.53) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL12075171 0.90 HSP90AA1 (0.53) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL12075117 0.88 HSP90AA1 (0.67) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL1782260 0.88 HSP90AA1 (0.67) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL1782262 0.88 HSP90AA1 (0.67) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL1782565 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1HPGDHTTL3MBTL1
SCHEMBL1782569 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1HPGDHTTL3MBTL1

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 1/4885HPGD 886/4885

“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.