SCHEMBL1782572

SCHEMBL1782572

Cc1nc(N)nc2c1C(=O)CC(c1cccc(F)c1)C2

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.73
HSP90AB1 P08238 9/20 0.73
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
TRAP1 Q12931 1/20 0.46
ALPL P05186 1/20 0.42
HSD17B10 Q99714 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4620231 0.86 HSP90AA1 (0.73) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1780031 0.85 HSP90AA1 (0.76) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1781499 0.85 HSP90AA1 (1.00) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14582318 0.84 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5464161 0.84 HSP90AA1 (0.70) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1782565 0.83 HSP90AA1 (0.50) HSP90AA1HSP90AB1HPGDTRAP1HSD17B10
SCHEMBL12075141 0.83 HSP90AA1 (0.50) HSP90AA1HSP90AB1HPGDTRAP1HSD17B10
SCHEMBL1782569 0.83 HSP90AA1 (0.50) HSP90AA1HSP90AB1HPGDTRAP1HSD17B10
SCHEMBL14582312 0.82 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14582296 0.82 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; 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 9 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
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

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 1/4885ALDH1A1 1998/4885

“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.