SCHEMBL3544249

SCHEMBL3544249

COc1cc(OC)nc(-c2c[c]ccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
ATM Q13315 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 5/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3538505 0.78 L3MBTL1 (0.40) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL27517425 0.77 NPC1 (0.55) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL9957627 0.77 LMNA (0.46) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL22116454 0.75 BTK (0.42) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL13996081 0.74 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL28663752 0.74 L3MBTL1 (0.50) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL2894729 0.73 L3MBTL1 (0.57) ALDH1A1MEN1KMT2AATMGAA
SCHEMBL9957555 0.73 MEN1 (0.52) ALDH1A1MEN1MAPTKMT2AATM
SCHEMBL22116705 0.72 ERN1 (0.42) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL13792091 0.71 RAB9A (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A

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 11 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-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
WO-2004030672-A1 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-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318985-A2 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
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 (3 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 ALDH1A1 1661/4885NPC1 1597/4885RAB9A 1048/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 ALDH1A1 1459/4885NPC1 151/4885RAB9A 2468/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 ALDH1A1 1858/4885NPC1 1512/4885RAB9A 1097/4885

“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.