SCHEMBL2680484

SCHEMBL2680484

CC(C)(O)C#Cc1ccc2[nH]c(=O)c(-c3cccs3)c(OCC3CCCCC3)c2c1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.85
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
MAP3K14 Q99558 2/20 0.36
PIKFYVE Q9Y2I7 3/20 0.36
PAK4 O96013 1/20 0.36
PRKX P51817 1/20 0.36
TTBK1 Q5TCY1 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TSSK3 Q96PN8 1/20 0.36
TSSK1B Q9BXA7 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
PAK6 Q9NQU5 1/20 0.36
PAK5 Q9P286 1/20 0.36
TAOK2 Q9UL54 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 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
SCHEMBL957022 0.92 PDE2A (1.00) PDE2AMAP3K14PIKFYVEPAK4PRKX
SCHEMBL6351670 0.85 PDE2A (0.63) PDE2ACCNA2CDK2CCNA1HDAC3
SCHEMBL2680415 0.81 PDE2A (0.66) PDE2AMAP3K14PIKFYVEPAK4PRKX
SCHEMBL935454 0.81 PDE2A (0.80) PDE2ACCNA2CDK2CCNA1HDAC3
SCHEMBL2680466 0.80 PDE2A (0.82) PDE2AHDAC3HDAC1HDAC2
SCHEMBL2680450 0.79 PDE2A (0.60) PDE2ACCNA2CDK2CCNA1
SCHEMBL2680452 0.79 PDE2A (0.76) PDE2AHDAC3HDAC1HDAC2
SCHEMBL6345622 0.77 PDE2A (0.75) PDE2AHDAC3HDAC1HDAC2
SCHEMBL2679711 0.76 PDE2A (1.00) PDE2AMAP3K14HDAC3HDAC1HDAC2
SCHEMBL2680106 0.76 PDE2A (1.00) PDE2AMAP3K14HDAC3HDAC1HDAC2

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
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-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
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 2/4885CCNA2 2535/4885CDK2 775/4885

“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.