SCHEMBL17829863

SCHEMBL17829863

Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4ccc(Cl)cc34)nc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TERT O14746 4/20 0.43
RAD52 P43351 2/20 0.43
KMT2A Q03164 2/20 0.43
FLT3 P36888 8/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
MAT2A P31153 1/20 0.39
TOP2A P11388 1/20 0.39
SLC2A1 P11166 1/20 0.38

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
SCHEMBL17829864 0.93 POLB (0.47) POLBTERTRAD52KMT2AFLT3
SCHEMBL17829655 0.92 RAD52 (0.46) POLBRAD52KMT2AFLT3ALDH1A1
SCHEMBL17829793 0.86 POLB (0.44) POLBTERTRAD52KMT2AFLT3
SCHEMBL17829569 0.86 POLB (0.45) POLBTERTRAD52KMT2AFLT3
SCHEMBL17829829 0.85 POLB (0.41) POLBTERTRAD52KMT2AFLT3
SCHEMBL17829906 0.84 POLB (0.43) POLBTERTRAD52KMT2AFLT3
SCHEMBL17829656 0.81 POLB (0.44) POLBKMT2AFLT3ALDH1A1MEN1
SCHEMBL17829636 0.78 RAD52 (0.47) POLBRAD52KMT2AFLT3ALDH1A1
SCHEMBL17829838 0.78 POLB (0.55) POLBTERTRAD52KMT2AFLT3
SCHEMBL17829796 0.77 POLB (0.45) POLBTERTRAD52KMT2AFLT3

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 2 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

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 1188/4885TERT 1627/4885RAD52 1940/4885

“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.