SCHEMBL17829779

SCHEMBL17829779

O=c1[nH]c(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)nc2c(Cl)cccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.57
TNKS2 Q9H2K2 12/20 0.57
PARP1 P09874 11/20 0.57
PARP2 Q9UGN5 4/20 0.53
WNT3A P56704 1/20 0.51
PTGES O14684 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PIM1 P11309 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
GUSB P08236 1/20 0.45

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
SCHEMBL17829783 0.89 TNKS (0.53) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829778 0.88 TNKS (0.56) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829718 0.87 TNKS (0.56) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829765 0.87 TNKS (0.71) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829769 0.85 TNKS (0.60) TNKSTNKS2PARP1PARP2PTGES
SCHEMBL17829787 0.84 TNKS (0.52) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL17829672 0.84 TNKS (0.68) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL17829776 0.83 TNKS (0.64) TNKSTNKS2PARP1PARP2PIM1
SCHEMBL17830142 0.82 TNKS (0.70) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL17829934 0.81 TNKS (0.50) TNKSTNKS2PARP1PARP2WNT3A

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.