SCHEMBL959342

SCHEMBL959342

COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(C#CC(C)(C)C)c3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.66
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
FASN P49327 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
AHR P35869 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
IMPDH2 P12268 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA2 Q15596 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
SCHEMBL2680045 0.93 PDE2A (0.64) PDE2AALDH1A1LMNAMAPTFASN
SCHEMBL2681280 0.89 PDE2A (0.75) PDE2AALDH1A1LMNAMAPTFASN
SCHEMBL2680677 0.87 PDE2A (0.68) PDE2AALDH1A1LMNAMAPTFASN
SCHEMBL959945 0.86 PDE2A (0.55) PDE2A
SCHEMBL6350615 0.84 PDE2A (0.67) PDE2AALDH1A1LMNAMAPTFASN
SCHEMBL955665 0.83 PDE2A (0.77) PDE2AALDH1A1LMNAMAPTFASN
SCHEMBL961087 0.83 PDE2A (0.73) PDE2AALDH1A1LMNAMAPTKDM4E
SCHEMBL17004347 0.83 PDE2A (0.61) PDE2AALDH1A1LMNAMAPTFASN
SCHEMBL17004345 0.83 PDE2A (0.64) PDE2AALDH1A1LMNAMAPTFASN
SCHEMBL10146691 0.83 PDE2A (0.65) PDE2AALDH1A1LMNAMAPTFASN

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 11 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
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
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 2/4885ALDH1A1 1150/4885LMNA 4441/4885

“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.