SCHEMBL936083

SCHEMBL936083

CCc1cccc(-c2c(-c3cccs3)c(=O)[nH]c3cc(OC)c(OC)cc23)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.67
PDE10A Q9Y233 3/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
AHR P35869 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IMPDH2 P12268 1/20 0.37

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
SCHEMBL2680737 0.89 PDE2A (0.64) PDE2APDE10AALDH1A1LMNAMAPT
SCHEMBL955665 0.86 PDE2A (0.77) PDE2APDE10AALDH1A1LMNAMAPT
SCHEMBL1081550 0.85 PDE2A (0.69) PDE2AALDH1A1LMNAMAPTKDM4E
SCHEMBL6349005 0.85 PDE2A (0.69) PDE2AALDH1A1LMNAMAPTKDM4E
SCHEMBL958299 0.84 PDE2A (0.49) PDE2AMAPK14ALDH1A1LMNAMAPT
SCHEMBL2680564 0.84 PDE2A (0.67) PDE2AALDH1A1LMNAMAPTKDM4E
SCHEMBL6350615 0.84 PDE2A (0.67) PDE2AALDH1A1LMNAMAPTKDM4E
SCHEMBL961084 0.84 PDE2A (0.76) PDE2APDE10AALDH1A1LMNAMAPT
SCHEMBL17004372 0.83 PDE2A (0.48) PDE2APDE10AMAPK14ALDH1A1LMNA
SCHEMBL2680376 0.83 PDE2A (0.69) PDE2AALDH1A1LMNAMAPTKDM4E

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 13 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-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
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2011011312-A1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-01-27 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-20120115885-A1 Quinolinone PDE2 Inhibitors PDE12, PDE2A, PDE4A PDE2A 2/4885PDE10A 22/4885MAPK14 2536/4885

“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.