SCHEMBL1781946

SCHEMBL1781946

Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=NOCC(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KMT2A Q03164 1/20 0.47
FKBP1A P62942 2/20 0.44
LMNA P02545 1/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
CASP1 P29466 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL12075164 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AFKBP1ALMNAHPGD
SCHEMBL1781372 0.85 FKBP1A (0.37) ALDH1A1FKBP1AKDM4ENPC1TDP1
SCHEMBL12075697 0.85 FKBP1A (0.37) ALDH1A1FKBP1AKDM4ENPC1TDP1
SCHEMBL1782057 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AHPGDHSD17B10NPSR1
SCHEMBL1782060 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AHPGDHSD17B10NPSR1
SCHEMBL12075167 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDHSD17B10NPSR1
SCHEMBL1780969 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDHSD17B10NPSR1
SCHEMBL1780070 0.79 GAA (0.40) ALDH1A1KMT2AHPGDHSD17B10NPSR1
SCHEMBL12075163 0.79 GAA (0.40) ALDH1A1KMT2AHPGDHSD17B10NPSR1
SCHEMBL1780485 0.78 ALDH1A1 (0.38) ALDH1A1KMT2AHPGDHSD17B10NPSR1

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 ALDH1A1 1998/4885KMT2A 3745/4885FKBP1A 52/4885

“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.