SCHEMBL17829804

SCHEMBL17829804

CCN(CC)CCCC(C)Nc1nc(-c2ccc3cc(Cl)c(Cl)cc3c2)nc2c(C)cccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 7/20 0.64
CACNA2D1 P54289 4/20 0.43
FLT3 P36888 1/20 0.43
MELK Q14680 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BTK Q06187 2/20 0.41
ERBB4 Q15303 2/20 0.41
CSK P41240 1/20 0.41
CAMK1G Q96NX5 1/20 0.41
LYN P07948 1/20 0.41
FGFR1 P11362 1/20 0.41
FER P16591 1/20 0.41
MATK P42679 1/20 0.41
BLK P51451 1/20 0.41
BMX P51813 1/20 0.41

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
SCHEMBL17829807 0.93 CCR4 (0.72) CCR4CACNA2D1FLT3KDM4EALDH1A1
SCHEMBL17829620 0.92 CCR4 (0.76) CCR4CACNA2D1FLT3KDM4EALDH1A1
SCHEMBL17829812 0.90 CCR4 (0.56) CCR4CACNA2D1FLT3MELKKDM4E
SCHEMBL17833178 0.86 CCR4 (0.55) CCR4CACNA2D1FLT3BTKERBB4
SCHEMBL17829825 0.86 CCR4 (0.54) CCR4CACNA2D1FLT3MELKBTK
SCHEMBL17829852 0.85 CCR4 (0.52) CCR4CACNA2D1FLT3MELKBTK
SCHEMBL17829627 0.85 CCR4 (0.63) CCR4CACNA2D1FLT3
SCHEMBL17829857 0.85 CCR4 (0.53) CCR4CACNA2D1FLT3MELKBTK
SCHEMBL17829626 0.84 CCR4 (0.57) CCR4CACNA2D1FLT3KDM4EALDH1A1
SCHEMBL17829702 0.83 CCR4 (0.56) CCR4CACNA2D1FLT3KDM4EALDH1A1

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 CCR4 4472/4885CACNA2D1 2133/4885FLT3 870/4885

“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.