SCHEMBL1782026

SCHEMBL1782026

Nc1ncc2c(n1)CC(c1ccccc1F)CC2=NO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.38
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GAA P10253 1/20 0.33
DHFR P00374 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL12075136 1.00 ALDH1A1 (0.40) ALDH1A1MAPTTDP1HPGDNOS3
SCHEMBL1782024 1.00 ALDH1A1 (0.40) ALDH1A1MAPTTDP1HPGDNOS3
SCHEMBL1782778 0.87 DHFR (0.42) ALDH1A1MAPTTDP1HPGDFGFR1
SCHEMBL1782775 0.87 DHFR (0.42) ALDH1A1MAPTTDP1HPGDFGFR1
SCHEMBL12075165 0.86 HPGD (0.41) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL1781982 0.86 HPGD (0.41) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL1781980 0.86 HPGD (0.41) ALDH1A1MAPTTDP1HPGDGAA
SCHEMBL1783753 0.86 ALDH1A1 (0.40) ALDH1A1MAPTTDP1HPGDFGFR1
SCHEMBL1783752 0.86 ALDH1A1 (0.40) ALDH1A1MAPTTDP1HPGDFGFR1
SCHEMBL12603901 0.86 ALDH1A1 (0.40) ALDH1A1MAPTTDP1HPGDFGFR1

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 8 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
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 1998/4885MAPT 296/4885TDP1 287/4885

“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.