SCHEMBL3974946

SCHEMBL3974946

CCN1CCCC1CNc1nc(-c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
TLR9 Q9NR96 1/20 0.45
WHR1 P49842 1/20 0.45
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
ATM Q13315 1/20 0.42
NSD2 O96028 1/20 0.42

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
SCHEMBL3971152 0.85 KDM4E (0.45) DRD2KDM4EALDH1A1MAPTATM
SCHEMBL3976155 0.84 KDM4E (0.52) DRD2KDM4EALDH1A1MAPTATM
SCHEMBL3975061 0.82 TLR9 (0.52) TLR9WHR1KDM4EALDH1A1MAPT
SCHEMBL3976895 0.81 NSD2 (0.49) TLR9WHR1KDM4EALDH1A1MAPT
SCHEMBL3980630 0.78 KDM4E (0.52) TLR9KDM4EALDH1A1MAPT
SCHEMBL3974654 0.75 ACP1 (0.54) TLR9WHR1KDM4EALDH1A1MAPT
SCHEMBL22201647 0.74 HPGD (0.54) KDM4EALDH1A1MAPT
SCHEMBL3972349 0.72 TLR9 (0.66) TLR9KDM4EALDH1A1MAPT
SCHEMBL3977037 0.72 POLB (0.53) TLR9WHR1KDM4EALDH1A1MAPT
SCHEMBL4741576 0.72 PDPK1 (0.51) DRD2ABCG2

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 DRD2 1881/4885TLR9 4215/4885WHR1 4569/4885

“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.