SCHEMBL1779006

SCHEMBL1779006

COc1ccccc1C1CC(=O)c2c(C)nc(N)nc2C1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.66
HSP90AB1 P08238 7/20 0.66
MAP1LC3B Q9GZQ8 1/20 0.48
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
TRAP1 Q12931 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 3/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5468158 0.88 HSP90AA1 (0.60) HSP90AA1HSP90AB1MAP1LC3BHPGDALDH1A1
SCHEMBL4620866 0.87 HSP90AA1 (0.65) HSP90AA1HSP90AB1HPGDALDH1A1HSD17B10
SCHEMBL5471332 0.87 HSP90AA1 (0.62) HSP90AA1HSP90AB1MAP1LC3BHPGDALDH1A1
SCHEMBL5463191 0.87 HSP90AA1 (0.62) HSP90AA1HSP90AB1HPGDALDH1A1HSD17B10
SCHEMBL5470543 0.87 HSP90AA1 (0.62) HSP90AA1HSP90AB1MAP1LC3BHPGDALDH1A1
SCHEMBL5472333 0.87 HSP90AA1 (0.56) HSP90AA1HSP90AB1HPGDALDH1A1HSD17B10
SCHEMBL12002845 0.87 HSP90AA1 (0.64) HSP90AA1HSP90AB1HPGDALDH1A1HSD17B10
SCHEMBL5465184 0.86 HSP90AA1 (0.54) HSP90AA1HSP90AB1HPGDALDH1A1TRAP1
SCHEMBL5465114 0.85 HSP90AA1 (0.60) HSP90AA1HSP90AB1MAP1LC3BHPGDALDH1A1
SCHEMBL14582379 0.85 HSP90AA1 (0.60) HSP90AA1HSP90AB1HPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP 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
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US 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
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US 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 (2 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 1/4885MAP1LC3B 726/4885
US-20070027150-A1 2-Amino-quinazolin-5-ones TK1, TK2, SLC1A5 HSP90AA1 3373/4885HSP90AB1 3036/4885MAP1LC3B 989/4885

“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.