SCHEMBL17829796

SCHEMBL17829796

CN(C)CCCNc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(Br)cccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
RAD52 P43351 4/20 0.41
KMT2A Q03164 3/20 0.41
TOP2A P11388 2/20 0.40
FLT3 P36888 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
MAT2A P31153 1/20 0.38
TERT O14746 3/20 0.38
KDM1A O60341 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
NPC1 O15118 1/20 0.37
SLC2A1 P11166 1/20 0.37
APOBEC3A P31941 1/20 0.37
RAB9A P51151 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TRIM58 Q8NG06 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
SCHEMBL17829569 0.91 POLB (0.45) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829805 0.91 POLB (0.44) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829806 0.89 POLB (0.57) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829809 0.88 POLB (0.44) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829829 0.85 POLB (0.41) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829838 0.85 POLB (0.55) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL17829906 0.84 POLB (0.43) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL17833195 0.83 CYP1A2 (0.39) POLBALDH1A1MAPK1KMT2AMEN1
SCHEMBL17829907 0.81 CYP1A2 (0.37) ALDH1A1MAPK1
SCHEMBL17833193 0.80 SRC (0.38) POLBALDH1A1MAPK1FLT3

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 1188/4885ALDH1A1 4840/4885MAPK1 192/4885

“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.