SCHEMBL1781372

SCHEMBL1781372

Nc1ncc2c(n1)CC(c1ccccc1-c1ccccc1)CC2=NOCC(=O)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.37
MAPT P10636 2/20 0.37
ACHE P22303 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PDE4B Q07343 1/20 0.36
JAK2 O60674 1/20 0.36
MET P08581 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
DHFR P00374 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 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
SCHEMBL12075697 1.00 FKBP1A (0.37) FKBP1AMAPTACHEALOX5APFEN1
SCHEMBL1783432 0.87 FKBP1A (0.39) FKBP1AMAPTACHEALDH1A1CKS1B
SCHEMBL1782465 0.87 MAPT (0.40) MAPTALOX5APFEN1ALDH1A1DHFR
SCHEMBL1782463 0.87 MAPT (0.40) MAPTALOX5APFEN1ALDH1A1DHFR
SCHEMBL12075552 0.86 KDM4E (0.39) FKBP1AMAPTACHEALDH1A1KDM4E
SCHEMBL1779369 0.86 KDM4E (0.39) FKBP1AMAPTACHEALDH1A1KDM4E
SCHEMBL12075128 0.85 KDM4E (0.42) MAPTALOX5APFEN1ALDH1A1KDR
SCHEMBL12075164 0.85 ALDH1A1 (0.47) FKBP1AMAPTALDH1A1KDM4ETDP1
SCHEMBL1781550 0.85 KDM4E (0.42) MAPTALOX5APFEN1ALDH1A1KDR
SCHEMBL1781946 0.85 ALDH1A1 (0.47) FKBP1AMAPTALDH1A1KDM4ETDP1

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
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

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 FKBP1A 52/4885MAPT 296/4885ACHE 4676/4885

“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.