SCHEMBL3971156

SCHEMBL3971156

CN(C)CCNc1nc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
TLR9 Q9NR96 1/20 0.60
RAD52 P43351 2/20 0.58
SMARCA2 P51531 1/20 0.58
FLT3 P36888 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ACP1 P24666 1/20 0.53
SLC2A1 P11166 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 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
SCHEMBL3980413 0.89 SLC2A1 (0.62) POLBTLR9FLT3SLC2A1
SCHEMBL3973275 0.87 RAD52 (0.69) POLBTLR9RAD52SMARCA2FLT3
SCHEMBL3974635 0.85 ACP1 (0.58) POLBFLT3ACP1SLC2A1MAPK1
SCHEMBL3974901 0.84 SLC2A1 (0.72) POLBFLT3SLC2A1
SCHEMBL14758284 0.82 POLB (0.86) POLBTLR9RAD52SMARCA2L3MBTL1
Hydrochloric Acid SCHEMBL7437628 0.81 PDE5A (0.69) POLBTLR9FLT3ACP1ALDH1A1
SCHEMBL3973396 0.81 TLR9 (0.56) POLBTLR9RAD52SMARCA2ACP1
SCHEMBL3977603 0.79 PDE5A (0.70) ALDH1A1MAPK1
SCHEMBL3975155 0.78 POLB (0.46) POLBFLT3MAPK1
SCHEMBL3980578 0.78 MAPK1 (0.58) TLR9FLT3ACP1MAPK1

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 POLB 4723/4885TLR9 4215/4885RAD52 4288/4885

“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.