SCHEMBL1783532

SCHEMBL1783532

Nc1ncc2c(n1)CC(c1ccc(F)cc1)C/C2=N/O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP1 P29466 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
DHFR P00374 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA1 P30542 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL1783537 1.00 ALDH1A1 (0.42) ALDH1A1KMT2ANPSR1HPGDHSD17B10
SCHEMBL12075361 1.00 ALDH1A1 (0.42) ALDH1A1KMT2ANPSR1HPGDHSD17B10
SCHEMBL1781096 0.88 GAA (0.41) ALDH1A1KMT2AHPGDHSD17B10L3MBTL1
SCHEMBL12075602 0.88 GAA (0.41) ALDH1A1KMT2AHPGDHSD17B10L3MBTL1
SCHEMBL1781844 0.88 TSHR (0.42) ALDH1A1NPSR1HPGDHSD17B10RXFP1
SCHEMBL12075332 0.88 TSHR (0.42) ALDH1A1NPSR1HPGDHSD17B10RXFP1
SCHEMBL1781097 0.88 GAA (0.41) ALDH1A1KMT2AHPGDHSD17B10L3MBTL1
SCHEMBL1781842 0.88 TSHR (0.42) ALDH1A1NPSR1HPGDHSD17B10RXFP1
SCHEMBL1780321 0.87 HPGD (0.47) ALDH1A1NPSR1HPGDHSD17B10L3MBTL1
SCHEMBL12075182 0.87 HPGD (0.47) ALDH1A1NPSR1HPGDHSD17B10L3MBTL1

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
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US claimed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP claimed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US claimed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP claimed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO 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 ALDH1A1 1998/4885KMT2A 3745/4885NPSR1 3265/4885

“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.