SCHEMBL17829565

SCHEMBL17829565

CCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(Cl)c(Cl)c2)nc2c(C)cccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 5/20 0.58
FLT3 P36888 4/20 0.57
MELK Q14680 6/20 0.52
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
CSK P41240 1/20 0.50
CAMK1G Q96NX5 1/20 0.50
CACNA2D1 P54289 2/20 0.42

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
SCHEMBL17829605 0.95 FLT3 (0.59) CCR4FLT3MELKBTKERBB4
SCHEMBL17829812 0.81 CCR4 (0.56) CCR4FLT3MELKBTKERBB4
SCHEMBL17833002 0.78 CCR4 (0.47) CCR4
SCHEMBL17829804 0.78 CCR4 (0.64) CCR4FLT3MELKBTKERBB4
SCHEMBL17831897 0.77 CCR4 (0.44) CCR4CACNA2D1
SCHEMBL17829618 0.77 CCR4 (0.53) CCR4FLT3MELKCACNA2D1
SCHEMBL17832984 0.76 FLT3 (0.55) FLT3
SCHEMBL17829974 0.75 CCR4 (0.58) CCR4FLT3MELKCACNA2D1
SCHEMBL17833178 0.75 CCR4 (0.55) CCR4FLT3BTKERBB4CSK
SCHEMBL17829825 0.74 CCR4 (0.54) CCR4FLT3MELKBTKERBB4

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 4472/4885FLT3 870/4885MELK 1849/4885

“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.