SCHEMBL3979247

SCHEMBL3979247

Cc1ccc2nc(-c3ccc(Br)cc3)nc(NCCCN3CCN(C)CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
ACP1 P24666 2/20 0.53
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
SLC2A1 P11166 1/20 0.48
TLR9 Q9NR96 3/20 0.48
ACHE P22303 1/20 0.46
RAD52 P43351 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3976459 0.90 MAPT (0.67) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL3980578 0.89 MAPK1 (0.58) MAPTMEN1KMT2AACP1ALOX15
SCHEMBL3972349 0.84 TLR9 (0.66) ALDH1A1MAPTKDM4EPOLBTLR9
SCHEMBL3975234 0.82 ACP1 (0.60) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL3975873 0.82 ADORA1 (0.55) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL3975321 0.81 SLC2A1 (0.49) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL3974486 0.78 MAPT (0.74) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL3973138 0.78 CAMK2D (0.49) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL6668789 0.78 POLB (0.62) ALDH1A1POLBKMT2AACP1MAPK1
SCHEMBL3973275 0.77 RAD52 (0.69) ALDH1A1POLBKMT2AACP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 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 (1 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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 ALDH1A1 1459/4885MAPT 4410/4885KDM4E 4808/4885

“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.