SCHEMBL1781233

SCHEMBL1781233

CCCCON=C1CC(c2ccccc2-c2ccccc2)Cc2nc(N)ncc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
MAPK10 P53779 1/20 0.36
DHFR P00374 1/20 0.35
ADORA1 P30542 4/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ADORA2A P29274 3/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
CHUK O15111 1/20 0.32
PDPK1 O15530 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 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
SCHEMBL12075695 1.00 HPGD (0.38) HPGDGAALMNAMAPK10DHFR
SCHEMBL1780663 0.94 HPGD (0.37) HPGDGAALMNAMAPK10DHFR
SCHEMBL12075123 0.94 HPGD (0.37) HPGDGAALMNAMAPK10DHFR
SCHEMBL1783684 0.90 GAA (0.39) HPGDGAALMNAMAPK10DHFR
SCHEMBL12075121 0.90 GAA (0.39) HPGDGAALMNAMAPK10DHFR
SCHEMBL1784520 0.88 LTB4R (0.36) HPGDLMNADHFRMAPTALDH1A1
SCHEMBL1784521 0.88 LTB4R (0.36) HPGDLMNADHFRMAPTALDH1A1
SCHEMBL1780857 0.88 DHFR (0.41) HPGDGAALMNAMAPK10DHFR
SCHEMBL1780855 0.88 DHFR (0.41) HPGDGAALMNAMAPK10DHFR
SCHEMBL1782592 0.85 HPGD (0.42) HPGDGAADHFRADORA1MAPT

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 HPGD 886/4885GAA 1626/4885LMNA 4565/4885

“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.