SCHEMBL3976324

SCHEMBL3976324

COc1cc2nc(-c3ccc(Br)cc3)nc(Cl)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.56
WHR1 P49842 2/20 0.52
DHPS P49366 2/20 0.50
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
STAT6 P42226 1/20 0.45
EGFR P00533 4/20 0.43
KDR P35968 2/20 0.43
NTSR1 P30989 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
FBP1 P09467 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40

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
SCHEMBL5258591 0.88 WHR1 (0.55) SLC2A1WHR1DHPSNPSR1KDM4E
SCHEMBL5262953 0.87 WHR1 (0.54) SLC2A1WHR1DHPSNPSR1KDM4E
SCHEMBL16384708 0.86 WHR1 (0.52) SLC2A1WHR1DHPSNPSR1KDM4E
SCHEMBL10063506 0.86 WHR1 (0.52) WHR1DHPSNPSR1KDM4ESTAT6
SCHEMBL29589069 0.85 WHR1 (0.71) WHR1DHPSNPSR1KDM4ESTAT6
SCHEMBL20771102 0.85 WHR1 (0.71) WHR1DHPSNPSR1KDM4ESTAT6
SCHEMBL29589358 0.84 WHR1 (0.54) WHR1NPSR1KDM4ESTAT6NTSR1
SCHEMBL3469022 0.84 WHR1 (0.54) WHR1NPSR1KDM4ESTAT6NTSR1
SCHEMBL5261050 0.82 WHR1 (0.49) SLC2A1WHR1NPSR1KDM4ESTAT6
SCHEMBL16039943 0.79 WHR1 (0.48) WHR1NPSR1KDM4ESTAT6EGFR

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 6 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
CN-1474815-A 4-amino-quinazolines Ĭ��ר���ɷ����޹�˾ 2004-02-11 CN 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 SLC2A1 1107/4885WHR1 4569/4885DHPS 3918/4885

“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.