SCHEMBL17829586

SCHEMBL17829586

CCN(CC)CCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(C)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SLC2A1 P11166 1/20 0.45
FLT3 P36888 8/20 0.41
TOP2A P11388 1/20 0.40
RAD52 P43351 2/20 0.38
KMT2A Q03164 2/20 0.38
NPY1R P25929 1/20 0.38
NPY5R Q15761 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL17829836 0.91 RAD52 (0.48) POLBFLT3TOP2ARAD52KMT2A
SCHEMBL17829902 0.88 RAD52 (0.45) POLBFLT3TOP2ARAD52KMT2A
SCHEMBL17833279 0.87 CTNNB1 (0.37) RAD52KMT2AGAAALDH1A1KDM4E
SCHEMBL17829891 0.87 RAD52 (0.44) POLBFLT3TOP2ARAD52KMT2A
SCHEMBL17829946 0.87 SYK (0.47) GAAALDH1A1KDM4E
SCHEMBL17831832 0.86 POLB (0.48) POLBSLC2A1FLT3TOP2ARAD52
SCHEMBL17829899 0.86 SYK (0.36) POLBRAD52KMT2AGAAALDH1A1
SCHEMBL17829872 0.84 RAD52 (0.52) POLBFLT3TOP2ARAD52KMT2A
SCHEMBL17829870 0.83 ALDH1A1 (0.47) POLBFLT3TOP2ARAD52KMT2A
SCHEMBL17829871 0.83 ALDH1A1 (0.47) POLBFLT3TOP2ARAD52KMT2A

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 POLB 1188/4885SLC2A1 2745/4885FLT3 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.