SCHEMBL1781499

SCHEMBL1781499

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 1.00
HSP90AB1 P08238 1/20 1.00
ALDH1A1 P00352 9/20 0.61
HPGD P15428 4/20 0.61
TSHR P16473 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 3/20 0.52
HSD17B10 Q99714 3/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ALOX15 P16050 1/20 0.46
LMNA P02545 3/20 0.45
CYP1A2 P05177 2/20 0.44
NUDT1 P36639 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1781005 0.89 HSP90AA1 (0.80) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL5472478 0.86 HSP90AA1 (0.76) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL1780031 0.86 HSP90AA1 (0.76) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL4618938 0.86 HSP90AA1 (0.75) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL4620231 0.85 HSP90AA1 (0.73) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL1782572 0.85 HSP90AA1 (0.73) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL14582283 0.84 HSP90AA1 (0.73) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL5459710 0.83 HSP90AA1 (0.71) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL5464161 0.83 HSP90AA1 (0.70) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL5466627 0.83 HSP90AA1 (0.70) 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 7 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
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 1/4885ALDH1A1 1998/4885

“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.