SCHEMBL17829783

SCHEMBL17829783

O=c1[nH]c(-c2cccc(-c3cc(F)cc(C(F)(F)F)c3)c2)nc2c(Cl)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 14/20 0.53
TNKS2 Q9H2K2 13/20 0.53
PARP1 P09874 10/20 0.53
PARP2 Q9UGN5 5/20 0.49
WNT3A P56704 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
PTGES O14684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
STAT6 P42226 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL17829779 0.89 TNKS (0.57) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829761 0.87 TNKS (0.67) TNKSTNKS2PARP1PARP2
SCHEMBL17829785 0.82 TNKS (0.75) TNKSTNKS2PARP1PARP2
SCHEMBL17829781 0.82 TNKS (0.54) TNKSTNKS2PARP1PARP2CYP3A4
SCHEMBL17829769 0.81 TNKS (0.60) TNKSTNKS2PARP1PARP2PTGES
SCHEMBL17829718 0.81 TNKS (0.56) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829738 0.80 TNKS (0.72) TNKSTNKS2PARP1PARP2
SCHEMBL17833233 0.79 TNKS (0.56) TNKSTNKS2PARP1PARP2CYP2C9
SCHEMBL17829780 0.79 TNKS (0.57) TNKSTNKS2PARP1PARP2PTGES
SCHEMBL17829782 0.78 TNKS (0.59) 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.