SCHEMBL1784520

SCHEMBL1784520

Nc1ncc2c(n1)CC(c1ccccc1-c1ccccc1)C/C2=N\OCCCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.36
FFAR4 Q5NUL3 3/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HPGD P15428 1/20 0.35
DHFR P00374 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1784521 1.00 LTB4R (0.36) LTB4RFFAR4ALOX5APFEN1HPGD
SCHEMBL1780855 0.91 DHFR (0.41) ALOX5APFEN1HPGDDHFRMAPT
SCHEMBL1780857 0.91 DHFR (0.41) ALOX5APFEN1HPGDDHFRMAPT
SCHEMBL1782465 0.89 MAPT (0.40) ALOX5APFEN1HPGDDHFRALDH1A1
SCHEMBL1782463 0.89 MAPT (0.40) ALOX5APFEN1HPGDDHFRALDH1A1
SCHEMBL1781233 0.88 HPGD (0.38) HPGDDHFRALDH1A1MAPTTDP1
SCHEMBL12075695 0.88 HPGD (0.38) HPGDDHFRALDH1A1MAPTTDP1
SCHEMBL1780663 0.86 HPGD (0.37) HPGDDHFRALDH1A1MAPTTDP1
SCHEMBL12075123 0.86 HPGD (0.37) HPGDDHFRALDH1A1MAPTTDP1
SCHEMBL12075121 0.84 GAA (0.39) HPGDDHFRALDH1A1MAPTTDP1

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
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
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

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 LTB4R 3485/4885FFAR4 4813/4885ALOX5AP 4084/4885

“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.