SCHEMBL1782390

SCHEMBL1782390

Nc1ncc2c(n1)CC(c1ccccc1-c1ccccn1)C/C2=N/O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.36
DHFR P00374 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
MERTK Q12866 3/20 0.34
AXL P30530 2/20 0.34
TYRO3 Q06418 2/20 0.34
FLT3 P36888 1/20 0.34
GAS6 Q14393 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HTR7 P34969 1/20 0.33
TDO2 P48775 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL12075554 1.00 IRAK4 (0.41) IRAK4ALDH1A1MAPTTDP1HPGD
SCHEMBL1782393 1.00 IRAK4 (0.41) IRAK4ALDH1A1MAPTTDP1HPGD
SCHEMBL1782775 0.85 DHFR (0.42) ALDH1A1MAPTTDP1HPGDDHFR
SCHEMBL1782778 0.85 DHFR (0.42) ALDH1A1MAPTTDP1HPGDDHFR
SCHEMBL12075556 0.85 ADORA2A (0.43) ALDH1A1MAPTTDP1HPGDDHFR
SCHEMBL1781211 0.85 ADORA2A (0.43) ALDH1A1MAPTTDP1HPGDDHFR
SCHEMBL1781209 0.85 ADORA2A (0.43) ALDH1A1MAPTTDP1HPGDDHFR
SCHEMBL1782411 0.84 ADRA1A (0.45) ALDH1A1MAPTTDP1HPGDDHFR
SCHEMBL1782413 0.84 ADRA1A (0.45) ALDH1A1MAPTTDP1HPGDDHFR
SCHEMBL12075357 0.84 ADRA1A (0.45) ALDH1A1MAPTTDP1HPGDDHFR

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 IRAK4 1362/4885ALDH1A1 1998/4885MAPT 296/4885

“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.