SCHEMBL1782465

SCHEMBL1782465

Nc1ncc2c(n1)CC(c1ccccc1-c1ccccc1)CC2=NOCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK10 P53779 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
HPGD P15428 1/20 0.37
DHFR P00374 1/20 0.36
ADORA1 P30542 4/20 0.34
ADORA2A P29274 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1782463 1.00 MAPT (0.40) MAPTALDH1A1TDP1MAPK10MAPK8
SCHEMBL1784521 0.89 LTB4R (0.36) MAPTALDH1A1TDP1HPGDDHFR
SCHEMBL1784520 0.89 LTB4R (0.36) MAPTALDH1A1TDP1HPGDDHFR
SCHEMBL1783684 0.87 GAA (0.39) MAPTALDH1A1TDP1MAPK10HPGD
SCHEMBL12075121 0.87 GAA (0.39) MAPTALDH1A1TDP1MAPK10HPGD
SCHEMBL1781372 0.87 FKBP1A (0.37) MAPTALDH1A1TDP1DHFRGAA
SCHEMBL12075697 0.87 FKBP1A (0.37) MAPTALDH1A1TDP1DHFRGAA
SCHEMBL12075123 0.85 HPGD (0.37) MAPTALDH1A1TDP1MAPK10HPGD
SCHEMBL1780663 0.85 HPGD (0.37) MAPTALDH1A1TDP1MAPK10HPGD
SCHEMBL1782592 0.84 HPGD (0.42) MAPTALDH1A1TDP1HPGDDHFR

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 MAPT 296/4885ALDH1A1 1998/4885TDP1 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.