SCHEMBL3537419

SCHEMBL3537419

NCC1CCCC(CNc2nc(C=Cc3ccc(OCc4ccccc4)cc3)nc3ccccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.47
APP P05067 1/20 0.43
FLT3 P36888 10/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
PTGS2 P35354 1/20 0.39
CHEK2 O96017 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ROS1 P08922 1/20 0.38
ERBB4 Q15303 1/20 0.38
AURKB Q96GD4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL3537416 1.00 PDE5A (0.47) PDE5AAPPFLT3BCHEACHE
SCHEMBL3536969 0.91 FLT3 (0.43) PDE5AFLT3
SCHEMBL3536972 0.91 FLT3 (0.43) PDE5AFLT3
SCHEMBL3544405 0.91 FLT3 (0.44) PDE5AFLT3LCK
SCHEMBL3544404 0.91 FLT3 (0.44) PDE5AFLT3LCK
SCHEMBL3540327 0.90 PDE5A (0.37) PDE5AAPPFLT3BCHEACHE
SCHEMBL3540326 0.90 PDE5A (0.37) PDE5AAPPFLT3BCHEACHE
SCHEMBL3541195 0.88 FLT3 (0.55) PDE5AAPPFLT3PTGS2
SCHEMBL3541196 0.88 FLT3 (0.55) PDE5AAPPFLT3PTGS2
SCHEMBL3540563 0.88 EGFR (0.38) PDE5AFLT3BCHEACHEEGFR

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 2590/4885APP 3071/4885FLT3 493/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 PDE5A 2525/4885APP 2996/4885FLT3 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.