SCHEMBL3972349

SCHEMBL3972349

COc1cc2nc(-c3ccc(Br)cc3)nc(NCCCN3CCN(C)CC3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.66
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
KMT5A Q9NQR1 12/20 0.60
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
UBE2N P61088 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PGK1 P00558 2/20 0.54
KDM1A O60341 1/20 0.51
EHMT2 Q96KQ7 1/20 0.51
RCOR1 Q9UKL0 1/20 0.51
TLR7 Q9NYK1 1/20 0.50

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
SCHEMBL3974916 0.90 KDM4E (0.77) TLR9KDM4EALDH1A1MAPTKMT5A
SCHEMBL31453017 0.85 TLR9 (0.72) TLR9KDM4EALDH1A1MAPTKMT5A
SCHEMBL3979247 0.84 ALDH1A1 (0.54) TLR9KDM4EALDH1A1MAPTPOLB
SCHEMBL3974654 0.83 ACP1 (0.54) TLR9KDM4EALDH1A1MAPTKMT5A
SCHEMBL3980578 0.83 MAPK1 (0.58) TLR9MAPTTDP1
SCHEMBL3980055 0.82 PGK1 (0.62) TLR9KDM4EALDH1A1MAPTKMT5A
SCHEMBL3980630 0.82 KDM4E (0.52) TLR9KDM4EALDH1A1MAPTKMT5A
SCHEMBL12175518 0.79 TLR9 (1.00) TLR9KDM4EALDH1A1MAPTKMT5A
SCHEMBL29360163 0.79 TLR9 (1.00) TLR9KDM4EALDH1A1MAPTKMT5A
SCHEMBL3975061 0.79 TLR9 (0.52) TLR9KDM4EALDH1A1MAPTKMT5A

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 TLR9 4215/4885KDM4E 4808/4885ALDH1A1 1459/4885

“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.