SCHEMBL17829940

SCHEMBL17829940

CC(C)c1cccc2c(=O)[nH]c(-c3cc(Br)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 19/20 0.52
TNKS2 Q9H2K2 19/20 0.52
PARP2 Q9UGN5 7/20 0.52
PARP1 P09874 11/20 0.49
WNT3A P56704 1/20 0.42
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40

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
SCHEMBL17829722 0.88 TNKS (0.57) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL17829787 0.87 TNKS (0.52) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL17818491 0.86 TNKS (0.71) TNKSTNKS2PARP2PARP1
SCHEMBL17829731 0.85 TNKS (0.54) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL17829729 0.84 TNKS (0.57) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL17829718 0.84 TNKS (0.56) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL17831852 0.83 TNKS (0.46) TNKSTNKS2PARP2PARP1PIM1
SCHEMBL17829745 0.79 TNKS (0.49) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL17829936 0.78 TNKS (0.52) TNKSTNKS2PARP2PARP1WNT3A
SCHEMBL17829743 0.77 TNKS (0.47) TNKSTNKS2PARP2PARP1WNT3A

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
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 2811/4885PARP2 3602/4885

“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.