SCHEMBL1781257

SCHEMBL1781257

Nc1ncc2c(n1)CC(c1ccc(F)cc1-c1cccnc1)C/C2=N/O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.38
ADRA1A P35348 2/20 0.38
HPGD P15428 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PTK2 Q05397 1/20 0.36
CYP11B1 P15538 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP11B2 P19099 1/20 0.35
TDO2 P48775 1/20 0.34
ATR Q13535 1/20 0.34
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 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
SCHEMBL12075351 1.00 DHFR (0.38) DHFRADRA1AHPGDHSP90AA1HSP90AB1
SCHEMBL1781259 1.00 DHFR (0.38) DHFRADRA1AHPGDHSP90AA1HSP90AB1
SCHEMBL12075357 0.89 ADRA1A (0.45) DHFRADRA1AHPGDHSP90AA1HSP90AB1
SCHEMBL1782413 0.89 ADRA1A (0.45) DHFRADRA1AHPGDHSP90AA1HSP90AB1
SCHEMBL1782411 0.89 ADRA1A (0.45) DHFRADRA1AHPGDHSP90AA1HSP90AB1
SCHEMBL1780981 0.86 HPGD (0.51) DHFRADRA1AHPGDHSP90AA1HSP90AB1
SCHEMBL14920501 0.84 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL12075133 0.84 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL14921201 0.84 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL1781589 0.84 HSP90AA1 (0.44) HSP90AA1HSP90AB1

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 11 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
WO-2013064919-A1 QUINAZOLINE DERIVATIVES WITH HSP90 INHIBITORY ACTIVITY DAC SRL (IT) 2013-05-10 WO 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 DHFR 1844/4885ADRA1A 1689/4885HPGD 886/4885

“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.