SCHEMBL17829942

SCHEMBL17829942

Cc1cc(N2CCOCC2)cc2c(=O)[nH]c(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 6/20 0.48
TNKS2 Q9H2K2 6/20 0.48
PARP1 P09874 4/20 0.48
PARP2 Q9UGN5 1/20 0.45
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
ALK Q9UM73 2/20 0.43
SYK P43405 2/20 0.42
FLT3 P36888 1/20 0.42
KIF11 P52732 1/20 0.41
PTK2 Q05397 1/20 0.41
STAT3 P40763 1/20 0.40
MGLL Q99685 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
WNT3A P56704 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
SCHEMBL17829789 0.84 TNKS (0.60) TNKSTNKS2PARP1PARP2FLT3
SCHEMBL17829943 0.84 TNKS (0.42) TNKSTNKS2PARP1PARP2FLT3
SCHEMBL17829932 0.80 TNKS (0.52) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829765 0.79 TNKS (0.71) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829778 0.73 TNKS (0.56) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL21633192 0.73 TNKS (0.42) TNKSTNKS2PARP1PARP2AURKA
SCHEMBL31230030 0.73 TNKS (0.42) TNKSTNKS2PARP1PARP2AURKA
SCHEMBL17829934 0.73 TNKS (0.50) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829764 0.72 TNKS (0.82) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829768 0.72 TNKS (0.71) TNKSTNKS2PARP1PARP2

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 TNKS 1771/4885TNKS2 2811/4885PARP1 2477/4885

“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.