SCHEMBL1783869

SCHEMBL1783869

Cc1nc(N)nc2c1C(=NOCCN(C)C)CC(c1ccccc1-c1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.40
HSP90AB1 P08238 2/20 0.40
HTR7 P34969 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
IDO1 P14902 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL12075354 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1HTR7ALDH1A1KDM4E
SCHEMBL3634966 0.95 SCN1A (0.37) HSP90AA1HSP90AB1HTR7ALDH1A1KDM4E
SCHEMBL1781428 0.95 HSP90AA1 (0.39) HSP90AA1HSP90AB1HTR7ALDH1A1KDM4E
SCHEMBL12075176 0.95 HSP90AA1 (0.39) HSP90AA1HSP90AB1HTR7ALDH1A1KDM4E
SCHEMBL12075607 0.91 HSP90AA1 (0.39) HSP90AA1HSP90AB1KDM4EADORA2AADORA1
SCHEMBL1779785 0.91 HSP90AA1 (0.39) HSP90AA1HSP90AB1KDM4EADORA2AADORA1
SCHEMBL1782320 0.90 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12075127 0.90 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12075129 0.88 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1783668 0.88 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1KDM4ESMN1; SMN2

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 8 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
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 HSP90AA1 2/4885HSP90AB1 1/4885HTR7 2552/4885

“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.