SCHEMBL1781379

SCHEMBL1781379

Cc1nc(N)nc2c1C(=O)CC(c1ccco1)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.65
HSP90AB1 P08238 1/20 0.65
ALDH1A1 P00352 15/20 0.61
MAPT P10636 7/20 0.61
TDP1 Q9NUW8 6/20 0.61
LMNA P02545 8/20 0.57
TSHR P16473 6/20 0.57
HTT P42858 5/20 0.57
MAPK1 P28482 5/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 3/20 0.57
USP2 O75604 2/20 0.57
SHMT2 P34897 1/20 0.51
NPSR1 Q6W5P4 5/20 0.50
PKM P14618 7/20 0.47
POLB P06746 5/20 0.47
HSD17B10 Q99714 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
RECQL P46063 3/20 0.47

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
SCHEMBL12075116 0.86 ALDH1A1 (0.50) HSP90AA1HSP90AB1ALDH1A1MAPTTDP1
SCHEMBL1781165 0.82 ALDH1A1 (0.46) HSP90AA1HSP90AB1ALDH1A1MAPTTDP1
SCHEMBL1781164 0.82 ALDH1A1 (0.46) HSP90AA1HSP90AB1ALDH1A1MAPTTDP1
SCHEMBL1782180 0.80 ALDH1A1 (0.56) HSP90AA1HSP90AB1ALDH1A1MAPTTDP1
SCHEMBL12075698 0.80 ALDH1A1 (0.45) HSP90AA1HSP90AB1ALDH1A1MAPTTDP1
SCHEMBL1780678 0.80 ALDH1A1 (0.45) HSP90AA1HSP90AB1ALDH1A1MAPTTDP1
SCHEMBL1781499 0.79 HSP90AA1 (1.00) HSP90AA1HSP90AB1ALDH1A1MAPTLMNA
SCHEMBL7689218 0.78 ALDH1A1 (0.55) ALDH1A1MAPTTDP1LMNATSHR
SCHEMBL1781005 0.76 HSP90AA1 (0.80) HSP90AA1HSP90AB1ALDH1A1MAPTLMNA
SCHEMBL6045417 0.76 ALDH1A1 (1.00) ALDH1A1MAPTTDP1LMNATSHR

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 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.