SCHEMBL13312445

SCHEMBL13312445

O=C1CC(=O)c2cccc(-c3ccccc3)c2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.44
CREBBP Q92793 3/20 0.44
TDP2 O95551 4/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
MAP3K14 Q99558 1/20 0.42
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
AHR P35869 2/20 0.40
LIMK1 P53667 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
PLK4 O00444 1/20 0.39
MAPK9 P45984 1/20 0.39
AKT3 Q9Y243 1/20 0.39
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 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
SCHEMBL10712665 0.82 AHR (0.56) BRD4CREBBPTDP2CASP3CASP7
SCHEMBL13312397 0.76 GSK3B (0.41) TDP2CASP3CASP7CASP9CASP6
SCHEMBL8765618 0.76 SRD5A1 (0.41) TDP2CASP3CASP7CASP9CASP6
SCHEMBL3906100 0.76 CCNB2 (0.49) TDP2CASP3CASP7CASP9CASP6
SCHEMBL950588 0.72 CES1 (0.58) BRD4CREBBPCASP3CASP7CASP6
SCHEMBL5843496 0.71 JAK2 (0.51) BRD4CREBBPPARP10PARP11AHR
SCHEMBL10711508 0.71 TDP2 (0.43) BRD4CREBBPTDP2CASP3CASP7
SCHEMBL10713971 0.71 AHR (0.44) BRD4CREBBPTDP2AHRLIMK1
SCHEMBL1050699 0.71 AHR (0.57) TDP2CASP3CASP7CASP9CASP6
SCHEMBL14719196 0.70 PTP4A3 (0.48) TDP2LIMK1CLK4CHEK1AURKA

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-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
WO-2008030455-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-03-13 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-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 TLR9, TLR3, TLR1 BRD4 1040/4885CREBBP 321/4885TDP2 2518/4885

“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.