SCHEMBL3976326

SCHEMBL3976326

COc1cc(CNc2nc(-c3ccc(Br)cc3)nc3ccc(C)cc23)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
PDE5A O76074 4/20 0.51
LMNA P02545 7/20 0.47
ALDH1A1 P00352 5/20 0.47
DHFR P00374 1/20 0.45
MAPT P10636 5/20 0.44
CYP1A2 P05177 6/20 0.43
CYP2C19 P33261 6/20 0.43
CYP2D6 P10635 5/20 0.43
HSD17B10 Q99714 5/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 4/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 2/20 0.43
CLK4 Q9HAZ1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 3/20 0.42
HPGD P15428 2/20 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
SCHEMBL3975695 0.89 MEN1 (0.52) MEN1KMT2APDE5ALMNAALDH1A1
SCHEMBL3976872 0.88 MEN1 (0.55) MEN1KMT2APDE5ALMNAALDH1A1
SCHEMBL3981851 0.83 PDE5A (0.70) MEN1KMT2APDE5ALMNAALDH1A1
SCHEMBL4868213 0.80 MEN1 (0.79) MEN1KMT2APDE5ALMNAALDH1A1
SCHEMBL3972117 0.78 MEN1 (0.62) MEN1KMT2APDE5ALMNAALDH1A1
SCHEMBL6288383 0.75 MEN1 (0.44) MEN1KMT2APDE5ALMNAALDH1A1
SCHEMBL3981857 0.74 PDE5A (0.53) MEN1KMT2APDE5ALMNAALDH1A1
SCHEMBL3975234 0.74 ACP1 (0.60) MEN1KMT2APDE5AALDH1A1MAPT
SCHEMBL2231388 0.73 CYP1A2 (0.69) MEN1KMT2APDE5ALMNAALDH1A1
SCHEMBL3973275 0.73 RAD52 (0.69) KMT2APDE5AALDH1A1MAPK1

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 MEN1 3915/4885KMT2A 4812/4885PDE5A 2783/4885

“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.