SCHEMBL3979569

SCHEMBL3979569

CCN(CC)CCCC(C)Nc1nc(-c2ccc(-c3cccc(C=O)c3)cc2)nc2cc(Cl)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 4/20 0.55
CSK P41240 1/20 0.53
BTK Q06187 1/20 0.53
ERBB4 Q15303 1/20 0.53
CAMK1G Q96NX5 1/20 0.53
FLT3 P36888 2/20 0.48
CYP2D6 P10635 3/20 0.48
PRNP P04156 2/20 0.48
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
ADRA2A P08913 2/20 0.48
CHRM1 P11229 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
CHRM3 P20309 2/20 0.48
MTOR P42345 2/20 0.48
KCNH2 Q12809 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP2C19 P33261 2/20 0.48

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
SCHEMBL3971151 0.89 CCR4 (0.68) CCR4CSKBTKERBB4CAMK1G
SCHEMBL3975275 0.88 CCR4 (0.63) CCR4CSKBTKERBB4CAMK1G
SCHEMBL6673288 0.87 CCR4 (0.68) CCR4CSKBTKERBB4CAMK1G
SCHEMBL3972522 0.86 SLC2A1 (0.63) FLT3TP53MAPTMEN1KMT2A
SCHEMBL27599065 0.85 CCR4 (0.56) CCR4CSKBTKERBB4CAMK1G
SCHEMBL3975241 0.83 CCR4 (0.51) CCR4CSKBTKERBB4CAMK1G
SCHEMBL6668299 0.82 CCR4 (0.56) CCR4CSKBTKERBB4CAMK1G
SCHEMBL3542142 0.80 CCR4 (0.72) CCR4CSKBTKERBB4CAMK1G
SCHEMBL3542141 0.80 CCR4 (0.72) CCR4CSKBTKERBB4CAMK1G
SCHEMBL17829849 0.77 CCR4 (0.67) CCR4CSKBTKERBB4CAMK1G

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 CCR4 3890/4885CSK 3297/4885BTK 3488/4885

“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.