SCHEMBL3974466

SCHEMBL3974466

CC(C1CCNCC1)N(C)c1nc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3979623 0.89 POLB (0.37) MAPK1TP53CYP1A2KDM4ELMNA
SCHEMBL3980777 0.83 WHR1 (0.40) MAPK1TP53CYP1A2KDM4ELMNA
SCHEMBL3977126 0.75 GBA1 (0.49) SRCCCNA2CDK2GSK3BADORA3
SCHEMBL3974463 0.71 HTR3A (0.48) ADORA3MAPK1HTTTP53KDM4E
SCHEMBL3974313 0.70 PDE5A (0.60) ADORA3NPC1MAPK1HTTRAB9A
SCHEMBL3975155 0.70 POLB (0.46) ADORA3NPC1MAPK1HTTRAB9A
SCHEMBL3972075 0.70 ADORA3 (0.52) ADORA3NPC1MAPK1HTTRAB9A
SCHEMBL3972857 0.68 NPC1 (0.50) ADORA3NPC1MAPK1HTTRAB9A
SCHEMBL3977120 0.68 NPC1 (0.49) SRCCCNA2CDK2GSK3BADORA3
SCHEMBL3976162 0.65 SRC (0.41) SRCCCNA2CDK2GSK3BADORA3

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 SRC 4243/4885CCNA2 1782/4885CDK2 1335/4885

“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.