SCHEMBL935062

SCHEMBL935062

Cc1ccc(COc2c(-c3cccs3)c(=O)[nH]c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.51
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
TYMP P19971 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PDE9A O76083 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
SCHEMBL2680388 0.91 PDE2A (0.54) PDE2AHDAC1HDAC6HSD17B10ALDH1A1
SCHEMBL935992 0.88 PDE2A (0.51) PDE2AHSD17B10ALDH1A1NPSR1MEN1
SCHEMBL936420 0.88 PDE2A (0.62) PDE2AHDAC1HDAC6HSD17B10LMNA
SCHEMBL959048 0.81 PDE2A (0.48) PDE2AHSD17B10ALDH1A1NPSR1MEN1
SCHEMBL2680450 0.75 PDE2A (0.60) PDE2AHSD17B10ALDH1A1TYMPPDE9A
SCHEMBL959568 0.74 PDE2A (0.62) PDE2AHSD17B10TYMPCDK5CDK5R1
SCHEMBL937313 0.74 PDE2A (0.64) PDE2AHDAC1TYMPPDE9AMAOA
SCHEMBL8987116 0.73 LMNA (0.48) HSD17B10ALDH1A1NPSR1MEN1LMNA
SCHEMBL15617995 0.71 PDE2A (0.80) PDE2AHDAC1ALDH1A1
SCHEMBL935955 0.71 PDE2A (0.54) PDE2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP claimed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US claimed
EP-2456440-A1 QUINOLINONE PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-05-30 EP claimed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US claimed
WO-2011011312-A1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-01-27 WO claimed
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
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 2/4885HDAC1 484/4885HDAC6 74/4885

“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.