SCHEMBL3974794

SCHEMBL3974794

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.61
FLT3 P36888 1/20 0.60
MELK Q14680 3/20 0.53
BTK Q06187 2/20 0.52
ERBB4 Q15303 2/20 0.52
LYN P07948 1/20 0.52
FGFR1 P11362 1/20 0.52
FER P16591 1/20 0.52
MATK P42679 1/20 0.52
BLK P51451 1/20 0.52
BMX P51813 1/20 0.52
TEK Q02763 1/20 0.52
CAMK2G Q13555 1/20 0.52
CAMK2D Q13557 1/20 0.52
CAMK1 Q14012 1/20 0.52
USP2 O75604 4/20 0.52
CYP2D6 P10635 3/20 0.52
TP53 P04637 3/20 0.52
CYP3A4 P08684 3/20 0.52
CASP1 P29466 3/20 0.52

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
SCHEMBL3971090 0.89 CCR4 (0.62) CCR4FLT3MELKBTKERBB4
SCHEMBL3975275 0.86 CCR4 (0.63) CCR4FLT3BTKERBB4USP2
SCHEMBL3971151 0.85 CCR4 (0.68) CCR4BTKERBB4USP2CYP2D6
SCHEMBL6673288 0.85 CCR4 (0.68) CCR4BTKERBB4USP2CYP2D6
SCHEMBL3974901 0.84 SLC2A1 (0.72) FLT3SLC2A1MEN1KMT2APOLB
SCHEMBL3973975 0.83 CCR4 (0.60) CCR4MELKBTKERBB4USP2
Hydrochloric Acid SCHEMBL5260533 0.82 CCR4 (0.58) CCR4FLT3MELKBTKERBB4
SCHEMBL3980413 0.81 SLC2A1 (0.62) FLT3HSD17B10SLC2A1KDM4EMEN1
SCHEMBL31500268 0.79 USP2 (0.76) FLT3USP2CYP2D6TP53CYP3A4
Hydrochloric Acid SCHEMBL31500254 0.78 USP2 (0.76) FLT3USP2CYP2D6TP53CYP3A4

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 3 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

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 3890/4885FLT3 1822/4885MELK 4608/4885

“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.