SCHEMBL1782413

SCHEMBL1782413

Nc1ncc2c(n1)CC(c1ccccc1-c1cccnc1)CC2=NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.45
ADRA2A P08913 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1B P35368 1/20 0.45
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PTK2 Q05397 1/20 0.40
DHFR P00374 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP19A1 P11511 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
USP1 O94782 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
SCHEMBL1782411 1.00 ADRA1A (0.45) ADRA1AADRA2AADRA1DADRA1BHSP90AA1
SCHEMBL12075357 1.00 ADRA1A (0.45) ADRA1AADRA2AADRA1DADRA1BHSP90AA1
SCHEMBL1782778 0.91 DHFR (0.42) ADRA1AADRA2AADRA1DDHFRALDH1A1
SCHEMBL1782775 0.91 DHFR (0.42) ADRA1AADRA2AADRA1DDHFRALDH1A1
SCHEMBL12075556 0.90 ADORA2A (0.43) ADRA1AADRA2AADRA1DADRA1BDHFR
SCHEMBL1781209 0.90 ADORA2A (0.43) ADRA1AADRA2AADRA1DADRA1BDHFR
SCHEMBL1781211 0.90 ADORA2A (0.43) ADRA1AADRA2AADRA1DADRA1BDHFR
SCHEMBL1781257 0.89 DHFR (0.38) ADRA1AADRA2AADRA1DADRA1BHSP90AA1
SCHEMBL1781259 0.89 DHFR (0.38) ADRA1AADRA2AADRA1DADRA1BHSP90AA1
SCHEMBL12075351 0.89 DHFR (0.38) ADRA1AADRA2AADRA1DADRA1BHSP90AA1

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 ADRA1A 1689/4885ADRA2A 2545/4885ADRA1D 2171/4885

“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.