SCHEMBL1779531

SCHEMBL1779531

COc1ccccc1C1CC(=O)c2cnc(N)nc2C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.74
GAA P10253 3/20 0.65
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
TSHR P16473 6/20 0.55
USP2 O75604 5/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 1/20 0.53
KDM4E B2RXH2 3/20 0.52
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.48
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL12003043 0.87 HPGD (0.69) HPGDGAAMAPTALDH1A1TDP1
SCHEMBL10025782 0.84 MAPT (0.59) HPGDGAAMAPTALDH1A1TDP1
SCHEMBL1780995 0.83 HPGD (0.53) HPGDGAAMAPTALDH1A1TDP1
SCHEMBL12075173 0.83 HPGD (0.53) HPGDGAAMAPTALDH1A1TDP1
SCHEMBL1780250 0.83 HPGD (0.53) HPGDGAAMAPTALDH1A1TDP1
SCHEMBL12075604 0.83 HPGD (0.53) HPGDGAAMAPTALDH1A1TDP1
SCHEMBL1780997 0.83 HPGD (0.53) HPGDGAAMAPTALDH1A1TDP1
SCHEMBL5458101 0.82 HPGD (0.59) HPGDGAAMAPTALDH1A1TDP1
SCHEMBL1782848 0.81 ALDH1A1 (0.59) HPGDGAAMAPTALDH1A1TDP1
SCHEMBL1783346 0.81 ALDH1A1 (0.59) HPGDGAAMAPTALDH1A1TDP1

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
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

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 1626/4885MAPT 296/4885

“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.