SCHEMBL3976899

SCHEMBL3976899

COc1cc2nc(-c3ccc(Br)cc3)nc(N(C)C3CCCCC3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPIN1 Q9Y657 1/20 0.49
NSD2 O96028 1/20 0.47
EHMT2 Q96KQ7 3/20 0.46
EHMT1 Q9H9B1 3/20 0.46
GBA1 P04062 4/20 0.46
SLC2A1 P11166 1/20 0.45
CCR4 P51679 3/20 0.43
KMT5A Q9NQR1 2/20 0.42
WHR1 P49842 2/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
STAT6 P42226 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3974312 0.82 POLB (0.53) GBA1POLBTSHRMAPK1SMN1; SMN2
SCHEMBL3977126 0.81 GBA1 (0.49) GBA1POLBTSHRMAPK1SMN1; SMN2
SCHEMBL3980771 0.76 EHMT2 (0.51) NSD2EHMT2EHMT1
SCHEMBL3980777 0.76 WHR1 (0.40) NSD2EHMT2EHMT1SLC2A1WHR1
SCHEMBL3976895 0.75 NSD2 (0.49) NSD2EHMT2EHMT1GBA1SLC2A1
SCHEMBL3976890 0.75 SLC2A1 (0.46) NSD2EHMT2EHMT1SLC2A1CCR4
SCHEMBL3975863 0.75 KDM1A (0.49) EHMT2GBA1SLC2A1KMT5AWHR1
SCHEMBL3972107 0.75 LATS1 (0.50) EHMT2EHMT1GBA1SLC2A1WHR1
SCHEMBL4238650 0.74 PDE5A (0.58) EHMT2EHMT1GBA1SLC2A1WHR1
SCHEMBL3976324 0.72 SLC2A1 (0.56) SLC2A1WHR1SMN1; SMN2KDM4ESTAT6

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 SPIN1 3461/4885NSD2 4824/4885EHMT2 4873/4885

“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.