SCHEMBL936420

SCHEMBL936420

O=c1[nH]c2ccccc2c(OCc2ccncc2)c1-c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.62
HSD17B10 Q99714 2/20 0.56
CDK5 Q00535 4/20 0.43
CDK5R1 Q15078 4/20 0.43
TDO2 P48775 1/20 0.42
MAPK14 Q16539 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
CASP7 P55210 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TYMP P19971 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40

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 0.92 PDE2A (0.54) PDE2AHSD17B10TDO2NPC1LMNA
SCHEMBL935062 0.88 PDE2A (0.51) PDE2AHSD17B10CDK5CDK5R1LMNA
SCHEMBL959568 0.86 PDE2A (0.62) PDE2AHSD17B10CDK5CDK5R1TYMP
SCHEMBL935992 0.83 PDE2A (0.51) PDE2AHSD17B10LMNATYMPGRIN2D
SCHEMBL959048 0.79 PDE2A (0.48) PDE2AHSD17B10TDO2NPC1LMNA
SCHEMBL1003413 0.77 PDE2A (1.00) PDE2ACDK5CDK5R1MAPK14HDAC1
SCHEMBL2680450 0.76 PDE2A (0.60) PDE2AHSD17B10TYMP
SCHEMBL937313 0.75 PDE2A (0.64) PDE2AHDAC1TYMP
SCHEMBL1082259 0.74 PDE2A (0.76) PDE2AHSD17B10NPC1LMNAGLA
SCHEMBL936369 0.73 PDE2A (0.91) PDE2AHDAC1GRIN2DGRIN3BGRIN1

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 2/4885HSD17B10 403/4885CDK5 338/4885

“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.