SCHEMBL17829950

SCHEMBL17829950

Cc1cccc2c(NCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.53
RAD52 P43351 5/20 0.49
POLB P06746 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMARCA2 P51531 1/20 0.49
ACP1 P24666 1/20 0.48
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
KDR P35968 1/20 0.43
TOP2A P11388 1/20 0.41
CSNK2A1 P68400 1/20 0.40
FLT3 P36888 1/20 0.40
SLC2A1 P11166 1/20 0.40
NCF1 P14598 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL17829576 0.94 RAD52 (0.55) TLR9RAD52POLBKMT2AMEN1
SCHEMBL17829589 0.90 RAD52 (0.48) TLR9RAD52POLBKMT2AMEN1
SCHEMBL17829844 0.89 RAD52 (0.48) TLR9RAD52POLBKMT2ASMARCA2
SCHEMBL17829839 0.89 RAD52 (0.50) TLR9RAD52POLBKMT2AMEN1
SCHEMBL17829891 0.89 RAD52 (0.44) TLR9RAD52POLBKMT2AMEN1
SCHEMBL17829872 0.87 RAD52 (0.52) TLR9RAD52POLBKMT2AMEN1
SCHEMBL17829877 0.87 RAD52 (0.46) TLR9RAD52POLBKMT2ASMARCA2
SCHEMBL17829952 0.86 SYK (0.49) RAD52KMT2AACP1ALDH1A1MAPK1
SCHEMBL17829915 0.86 GBA1 (0.40) TLR9RAD52POLBKMT2AMEN1
SCHEMBL17829883 0.86 ALDH1A1 (0.54) TLR9RAD52POLBKMT2AMEN1

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 TLR9 105/4885RAD52 1940/4885POLB 1188/4885

“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.