SCHEMBL17829797

SCHEMBL17829797

CCN(CC)CCCC(C)Nc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(F)cccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.47
CCR4 P51679 7/20 0.47
CACNA2D1 P54289 5/20 0.42
KCNH3 Q9ULD8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL17829803 0.94 CCR4 (0.49) FLT3CCR4CACNA2D1KCNH3
SCHEMBL17829795 0.92 CCR4 (0.47) FLT3CCR4CACNA2D1KCNH3
SCHEMBL17829572 0.92 CCR4 (0.47) FLT3CCR4CACNA2D1KCNH3
SCHEMBL17829799 0.90 CCR4 (0.57) FLT3CCR4CACNA2D1
SCHEMBL17829816 0.88 CCR4 (0.44) FLT3CCR4CACNA2D1KCNH3
SCHEMBL17833269 0.86 CCR4 (0.41) FLT3CCR4CACNA2D1KDM4EALDH1A1
SCHEMBL17829837 0.86 CCR4 (0.43) FLT3CCR4
SCHEMBL17833276 0.86 CCR4 (0.41) FLT3CCR4CACNA2D1KDM4EALDH1A1
SCHEMBL17829835 0.85 CCR4 (0.53) FLT3CCR4KDM4EALDH1A1CYP3A4
SCHEMBL17829641 0.85 CCR4 (0.39) FLT3CCR4CACNA2D1KCNH3

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 FLT3 870/4885CCR4 4472/4885CACNA2D1 2133/4885

“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.