SCHEMBL3971090

SCHEMBL3971090

CCN(CC)CCCC(C)Nc1nc(-c2ccc(Br)cc2)nc2ccc(C)cc12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 5/20 0.62
SLC2A1 P11166 1/20 0.52
FLT3 P36888 3/20 0.48
CACNA2D1 P54289 5/20 0.47
MELK Q14680 5/20 0.47
LYN P07948 1/20 0.47
FGFR1 P11362 1/20 0.47
FER P16591 1/20 0.47
MATK P42679 1/20 0.47
BLK P51451 1/20 0.47
BMX P51813 1/20 0.47
TEK Q02763 1/20 0.47
BTK Q06187 1/20 0.47
CAMK2G Q13555 1/20 0.47
CAMK2D Q13557 1/20 0.47
CAMK1 Q14012 1/20 0.47
ERBB4 Q15303 1/20 0.47

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
SCHEMBL3974794 0.89 CCR4 (0.61) CCR4SLC2A1FLT3MELKLYN
SCHEMBL3973975 0.84 CCR4 (0.60) CCR4SLC2A1CACNA2D1MELKBTK
SCHEMBL6668789 0.83 POLB (0.62) SLC2A1FLT3
SCHEMBL17829849 0.80 CCR4 (0.67) CCR4FLT3CACNA2D1BTKERBB4
SCHEMBL3975275 0.77 CCR4 (0.63) CCR4SLC2A1FLT3BTKERBB4
SCHEMBL3971151 0.77 CCR4 (0.68) CCR4SLC2A1CACNA2D1BTKERBB4
SCHEMBL6673288 0.76 CCR4 (0.68) CCR4SLC2A1CACNA2D1BTKERBB4
Hydrochloric Acid SCHEMBL5260533 0.75 CCR4 (0.58) CCR4SLC2A1FLT3MELKBTK
SCHEMBL14983507 0.74 CACNA2D1 (0.82) CACNA2D1
SCHEMBL3975234 0.73 ACP1 (0.60) SLC2A1

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 4 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
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 CCR4 3890/4885SLC2A1 1107/4885FLT3 1822/4885

“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.