SCHEMBL3974952

SCHEMBL3974952

CCC(Nc1nc(-c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12)C1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 3/20 0.42
EHMT2 Q96KQ7 2/20 0.40
KDM1A O60341 1/20 0.39
SLC2A1 P11166 1/20 0.39
CHEK1 O14757 3/20 0.38
CHEK2 O96017 3/20 0.38
KRAS P01116 1/20 0.38
SOS1 Q07889 1/20 0.38
TLR9 Q9NR96 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
STAT6 P42226 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TACR1 P25103 1/20 0.36
CCR4 P51679 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL3971157 0.85 PDE5A (0.35) SOS1KDM4EALDH1A1MAPTABCG2
SCHEMBL3976162 0.84 SRC (0.41) KDM4EALDH1A1MAPTNPSR1
SCHEMBL3976895 0.73 NSD2 (0.49) WHR1EHMT2KDM1ASLC2A1TLR9
SCHEMBL3974654 0.70 ACP1 (0.54) WHR1EHMT2KDM1ASLC2A1TLR9
SCHEMBL3974946 0.70 DRD2 (0.49) WHR1TLR9KDM4EALDH1A1MAPT
SCHEMBL3973975 0.69 CCR4 (0.60) KDM1ASLC2A1KDM4EALDH1A1MAPT
SCHEMBL3975061 0.69 TLR9 (0.52) WHR1EHMT2TLR9KDM4EALDH1A1
SCHEMBL27581746 0.68 TLR9 (0.41) WHR1KDM1ASLC2A1KRASSOS1
SCHEMBL3977037 0.68 POLB (0.53) WHR1EHMT2KDM1ASLC2A1TLR9
SCHEMBL27581964 0.67 TLR9 (0.45) WHR1EHMT2KDM1ASLC2A1TLR9

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 WHR1 4569/4885EHMT2 4873/4885KDM1A 4644/4885

“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.