SCHEMBL1781853

SCHEMBL1781853

Cc1nc(N)nc2c1C(=O)CC(c1cc(F)ccc1-c1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.63
HSP90AB1 P08238 12/20 0.63
TRAP1 Q12931 1/20 0.46
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12002875 0.93 HSP90AA1 (0.61) HSP90AA1HSP90AB1TRAP1ALDH1A1HPGD
SCHEMBL1780605 0.88 HSP90AA1 (0.70) HSP90AA1HSP90AB1TRAP1ALDH1A1HPGD
SCHEMBL5471443 0.88 HSP90AA1 (0.52) HSP90AA1HSP90AB1TRAP1HPGD
SCHEMBL14582313 0.87 HSP90AA1 (0.62) HSP90AA1HSP90AB1TRAP1ALDH1A1HPGD
SCHEMBL14582312 0.86 HSP90AA1 (0.58) HSP90AA1HSP90AB1TRAP1ALDH1A1HPGD
SCHEMBL14582338 0.85 HSP90AA1 (0.57) HSP90AA1HSP90AB1TRAP1ALDH1A1HPGD
SCHEMBL14582346 0.85 HSP90AA1 (0.52) HSP90AA1HSP90AB1TRAP1HPGD
SCHEMBL5459571 0.84 HSP90AA1 (0.57) HSP90AA1HSP90AB1TRAP1ALDH1A1HPGD
SCHEMBL5464355 0.83 HSP90AA1 (0.72) HSP90AA1HSP90AB1TRAP1
SCHEMBL5464958 0.83 HSP90AA1 (0.57) HSP90AA1HSP90AB1TRAP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP 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 HSP90AA1 2/4885HSP90AB1 1/4885TRAP1 16/4885

“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.