SCHEMBL1780295

SCHEMBL1780295

Cc1nc(N)nc2c1C(=O)CC(c1ccccc1-c1ccncc1)C2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.62
HSP90AB1 P08238 9/20 0.62
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
TRAP1 Q12931 1/20 0.38
TYMS P04818 1/20 0.37
CYP19A1 P11511 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 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
SCHEMBL1780605 0.92 HSP90AA1 (0.70) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL14582313 0.89 HSP90AA1 (0.62) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL1782207 0.88 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL5465079 0.88 HSP90AA1 (0.61) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL14582392 0.87 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL14582368 0.86 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL14582306 0.86 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL14582336 0.86 HSP90AA1 (0.55) HSP90AA1HSP90AB1ADORA2AADORA1ALDH1A1
SCHEMBL14582310 0.85 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL5462399 0.85 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR

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 15 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
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
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US 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
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO disclosed
EP-1885701-A2 2-AMINO-QUINAZ0LIN-5-ONES AS HSP90 INHIBITORS USEFUL IN TREATING PROLIFERATION DISEASES Novartis Vaccines and Diagnostics, Inc. (US) 2008-02-13 EP disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
WO-2006113498-A2 2-AMINO-QUINAZ0LIN-5-ONES AS HSP90 INHIBITORS USEFUL IN TREATING PROLIFERATION DISEASES NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-10-26 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 (2 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 1/4885ADORA2A 3956/4885
US-20070027150-A1 2-Amino-quinazolin-5-ones TK1, TK2, SLC1A5 HSP90AA1 3373/4885HSP90AB1 3036/4885ADORA2A 550/4885

“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.