SCHEMBL3534360

SCHEMBL3534360

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
PDE5A O76074 2/20 0.44
FLT3 P36888 10/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
GBA1 P04062 1/20 0.40
MERTK Q12866 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL3534356 1.00 APP (0.45) APPPDE5AFLT3MEN1KMT2A
SCHEMBL3538502 0.90 APP (0.43) APPPDE5AFLT3GBA1TLR7
SCHEMBL3538501 0.90 APP (0.43) APPPDE5AFLT3GBA1TLR7
SCHEMBL3538734 0.89 APP (0.51) APPPDE5AFLT3TLR7
SCHEMBL3533956 0.89 APP (0.48) APPPDE5AFLT3GBA1TLR7
SCHEMBL3533958 0.89 APP (0.48) APPPDE5AFLT3GBA1TLR7
SCHEMBL3538736 0.89 APP (0.51) APPPDE5AFLT3TLR7
SCHEMBL3535523 0.88 APP (0.47) APPPDE5AFLT3
SCHEMBL3537976 0.88 PTGS2 (0.50) APPPDE5AFLT3MEN1KMT2A
SCHEMBL3535521 0.88 APP (0.47) APPPDE5AFLT3

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