SCHEMBL3540326

SCHEMBL3540326

NCC1CCCC(CNc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc3ccc(I)cc23)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.37
LCK P06239 1/20 0.36
FLT3 P36888 6/20 0.35
PRKCQ Q04759 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL3540327 1.00 PDE5A (0.37) PDE5ALCKFLT3PRKCQBCHE
SCHEMBL3544405 0.91 FLT3 (0.44) PDE5ALCKFLT3
SCHEMBL3544404 0.91 FLT3 (0.44) PDE5ALCKFLT3
SCHEMBL3537416 0.90 PDE5A (0.47) PDE5ALCKFLT3BCHEACHE
SCHEMBL3537419 0.90 PDE5A (0.47) PDE5ALCKFLT3BCHEACHE
SCHEMBL3540564 0.88 EGFR (0.38) PDE5ALCKFLT3PRKCQBCHE
SCHEMBL3540563 0.88 EGFR (0.38) PDE5ALCKFLT3PRKCQBCHE
SCHEMBL13037017 0.88 BCHE (0.38) FLT3BCHEACHEGSK3BBACE1
SCHEMBL3535225 0.88 TRIM58 (0.40) FLT3
SCHEMBL3541535 0.88 TRIM58 (0.43) PDE5AAPP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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 (2 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 PDE5A 2590/4885LCK 2771/4885FLT3 493/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 PDE5A 2525/4885LCK 2507/4885FLT3 224/4885

“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.