SCHEMBL3538501

SCHEMBL3538501

NCC1CCCC(CNc2nc(/C=C/c3cccc(C(=O)O)c3)nc3ccccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
PDE5A O76074 2/20 0.42
FLT3 P36888 4/20 0.40
GBA1 P04062 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
NPY5R Q15761 1/20 0.38
SOS1 Q07889 1/20 0.38
ACP1 P24666 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
SRC P12931 1/20 0.37
CSK P41240 1/20 0.37
BTK Q06187 1/20 0.37
PTK6 Q13882 1/20 0.37
PPM1D O15297 1/20 0.37
ENPP1 P22413 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PRKCQ Q04759 1/20 0.37

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
SCHEMBL3538502 1.00 APP (0.43) APPLDHALDHBPDE5AFLT3
SCHEMBL3534356 0.90 APP (0.45) APPPDE5AFLT3GBA1TLR7
SCHEMBL3534360 0.90 APP (0.45) APPPDE5AFLT3GBA1TLR7
SCHEMBL3538631 0.86 APP (0.45) APPPDE5AFLT3SOS1PRKCQ
SCHEMBL3542171 0.86 FLT3 (0.55) APPPDE5AFLT3SOS1TLR7
SCHEMBL3543382 0.86 APP (0.45) APPPDE5AFLT3SOS1TLR7
SCHEMBL3543378 0.86 APP (0.45) APPPDE5AFLT3SOS1TLR7
SCHEMBL3542165 0.86 FLT3 (0.55) APPPDE5AFLT3SOS1TLR7
SCHEMBL3538628 0.86 APP (0.45) APPPDE5AFLT3SOS1PRKCQ
SCHEMBL3538250 0.84 LCK (0.54) APPPDE5AFLT3LCKLYN

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 3071/4885LDHA 2772/4885LDHB 3088/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 APP 2996/4885LDHA 2652/4885LDHB 3086/4885

“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.