SCHEMBL2680415

SCHEMBL2680415

CC(C)(O)C#Cc1ccc2[nH]c(=O)c(-c3cccs3)c(OCc3ccccn3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.66
MAP3K14 Q99558 4/20 0.40
TNFRSF1A P19438 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
PIKFYVE Q9Y2I7 3/20 0.35
PDE3A Q14432 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
GRIN3A Q8TCU5 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
TTBK1 Q5TCY1 2/20 0.35
PAK4 O96013 1/20 0.34
PRKX P51817 1/20 0.34

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
SCHEMBL6347489 0.86 PDE2A (0.70) PDE2ATNFRSF1AHDAC3HDAC1HDAC2
SCHEMBL936456 0.81 PDE2A (0.82) PDE2ATNFRSF1AHDAC3HDAC1HDAC2
SCHEMBL1082259 0.81 PDE2A (0.76) PDE2ATNFRSF1AHDAC3HDAC1HDAC2
SCHEMBL2680484 0.81 PDE2A (0.85) PDE2AMAP3K14HDAC3HDAC1HDAC2
SCHEMBL936369 0.81 PDE2A (0.91) PDE2ATNFRSF1AHDAC3HDAC1HDAC2
SCHEMBL1003413 0.80 PDE2A (1.00) PDE2ATNFRSF1AHDAC3HDAC1HDAC2
SCHEMBL957022 0.80 PDE2A (1.00) PDE2AMAP3K14HDAC3HDAC1HDAC2
SCHEMBL1082751 0.79 PDE2A (0.73) PDE2ATNFRSF1AHDAC3HDAC1HDAC2
SCHEMBL15617995 0.79 PDE2A (0.80) PDE2ATNFRSF1AHDAC3HDAC1HDAC2
SCHEMBL1083157 0.78 PDE2A (0.82) PDE2ATNFRSF1AHDAC3HDAC1HDAC2

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 9 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
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US 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 2/4885MAP3K14 1676/4885TNFRSF1A 4395/4885

“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.