SCHEMBL17829900

SCHEMBL17829900

Cc1cccc2c(NCCCN(C)C)nc(-c3ccc(-c4cc(C(F)(F)F)ccc4F)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.48
POLB P06746 3/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 1/20 0.44
KCNH2 Q12809 1/20 0.43
SMARCA2 P51531 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
TLR9 Q9NR96 1/20 0.40
FLT3 P36888 3/20 0.40
SLC2A1 P11166 1/20 0.38
SYK P43405 1/20 0.37
MEN1 O00255 2/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL17829814 0.94 RAD52 (0.49) RAD52POLBALDH1A1MAPK1KMT2A
SCHEMBL17829811 0.87 RAD52 (0.49) RAD52POLBALDH1A1MAPK1KMT2A
SCHEMBL17829859 0.86 RAD52 (0.56) RAD52POLBALDH1A1MAPK1KMT2A
SCHEMBL17829975 0.86 RAD52 (0.48) RAD52POLBALDH1A1MAPK1KMT2A
SCHEMBL17829578 0.85 RAD52 (0.47) RAD52POLBALDH1A1MAPK1KMT2A
SCHEMBL17829872 0.85 RAD52 (0.52) RAD52POLBALDH1A1MAPK1KMT2A
SCHEMBL17829893 0.85 RAD52 (0.49) RAD52POLBALDH1A1MAPK1KMT2A
SCHEMBL17829884 0.85 RAD52 (0.43) RAD52POLBALDH1A1MAPK1KMT2A
SCHEMBL17829844 0.85 RAD52 (0.48) RAD52POLBALDH1A1MAPK1KMT2A
SCHEMBL17829802 0.84 RAD52 (0.54) RAD52POLBALDH1A1MAPK1KMT2A

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 RAD52 1940/4885POLB 1188/4885ALDH1A1 4840/4885

“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.