SCHEMBL6351670

SCHEMBL6351670

CC(C)(O)c1ccc2[nH]c(=O)c(-c3cccs3)c(OCC3CCCCC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.63
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35

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
SCHEMBL6345622 0.91 PDE2A (0.75) PDE2AHDAC3HDAC1HDAC2GABRA1
SCHEMBL2680484 0.85 PDE2A (0.85) PDE2ACCNA2CDK2CCNA1HDAC3
SCHEMBL935454 0.84 PDE2A (0.80) PDE2ACCNA2CDK2CCNA1HDAC3
SCHEMBL2680450 0.83 PDE2A (0.60) PDE2ACCNA2CDK2CCNA1PARP15
SCHEMBL6347489 0.79 PDE2A (0.70) PDE2AHDAC3HDAC1HDAC2GABRA1
SCHEMBL957022 0.77 PDE2A (1.00) PDE2AHDAC3HDAC1HDAC2GRIN2D
SCHEMBL935223 0.76 PDE2A (1.00) PDE2AHDAC3HDAC1HDAC2
SCHEMBL962565 0.75 PDE2A (0.77) PDE2AHDAC3HDAC1HDAC2GRIN2D
SCHEMBL2680452 0.75 PDE2A (0.76) PDE2AHDAC3HDAC1HDAC2
SCHEMBL2680305 0.75 PDE2A (0.63) PDE2AHDAC3HDAC1HDAC2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 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-20120115885-A1 Quinolinone PDE2 Inhibitors PDE12, PDE2A, PDE4A PDE2A 2/4885CCNA2 2535/4885CDK2 775/4885

“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.