SCHEMBL3537592

SCHEMBL3537592

NCCCCCCC(N)c1nc(C=Cc2ccc(OCc3ccccc3)cc2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
LCK P06239 1/20 0.41
PDE5A O76074 1/20 0.39
EPOR P19235 1/20 0.38
GSK3B P49841 2/20 0.38
BACE1 P56817 2/20 0.38
FLT3 P36888 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPSAB1 Q15661 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
SCHEMBL3537590 1.00 LTA4H (0.42) LTA4HLCKPDE5AEPORGSK3B
SCHEMBL3537045 0.80 PDE5A (0.42) LCKPDE5AGSK3BBACE1FLT3
SCHEMBL3537048 0.80 PDE5A (0.42) LCKPDE5AGSK3BBACE1FLT3
SCHEMBL3540304 0.80 KCNA3 (0.38)
SCHEMBL3540302 0.80 KCNA3 (0.38)
SCHEMBL3533588 0.75 TUBB4A (0.39) FLT3
SCHEMBL3533587 0.75 TUBB4A (0.39) FLT3
SCHEMBL3538778 0.74 FLT3 (0.54) PDE5AFLT3BCHEACHE
SCHEMBL3538775 0.74 FLT3 (0.54) PDE5AFLT3BCHEACHE
SCHEMBL3537731 0.74 TUBB4A (0.38) PDE5AFLT3PTGS2

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 LTA4H 1579/4885LCK 2771/4885PDE5A 2590/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 LTA4H 1629/4885LCK 2507/4885PDE5A 2525/4885

“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.