SCHEMBL13097264

SCHEMBL13097264

Cc1c(COc2cncc(OCCC3CCOCC3)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
PARP14 Q460N5 1/20 0.36
MMP12 P39900 2/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP10 P09238 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
CYP2D6 P10635 2/20 0.35
BRD4 O60885 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
GCK P35557 1/20 0.34
AKT1 P31749 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL13096998 0.93 CYP2D6 (0.42) PDE2APARP14MMP12MMP2MMP3
SCHEMBL13097063 0.91 CYP2D6 (0.44) PDE2APARP14CYP2D6CNR1CNR2
SCHEMBL13106687 0.90 PDE2A (0.40) PDE2AMMP12MMP2MMP3MMP7
SCHEMBL13097031 0.89 CYP2D6 (0.41) PDE2APARP14CYP2D6BRD4CNR1
SCHEMBL3098716 0.86 PDE2A (0.39) PDE2APARP14MMP12MMP2MMP3
SCHEMBL13097173 0.86 GABRA5 (0.39) PDE2APARP14MMP12MMP2MMP3
SCHEMBL13097376 0.84 PARP14 (0.38) PARP14CNR1CNR2HTT
SCHEMBL3103759 0.84 CYP2D6 (0.52) PARP14CYP2D6CNR1CNR2
SCHEMBL13097004 0.83 CYP2D6 (0.44) PARP14CYP2D6CNR1CNR2
SCHEMBL13106632 0.83 GPBAR1 (0.43) PDE2AMMP12MMP2MMP3MMP7

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-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK PDE2A 2590/4885PARP14 291/4885MMP12 2746/4885

“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.