SCHEMBL2680677

SCHEMBL2680677

COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(C#Cc4ccncc4)c3)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.68
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
IMPDH2 P12268 1/20 0.39
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2681280 0.93 PDE2A (0.75) PDE2APDE3BPDE3AHSD17B10ALDH1A1
SCHEMBL961087 0.88 PDE2A (0.73) PDE2APDE3BPDE3AALDH1A1MAPT
SCHEMBL961084 0.88 PDE2A (0.76) PDE2APDE3BPDE3AIMPDH2MAPK1
SCHEMBL959342 0.87 PDE2A (0.66) PDE2APDE3BPDE3AIMPDH2MAPK1
SCHEMBL2680045 0.85 PDE2A (0.64) PDE2AALDH1A1MAPTKDM4EHPGD
SCHEMBL2680850 0.85 PDE2A (0.68) PDE2APDE3BPDE3AIMPDH2MAPK1
SCHEMBL2680854 0.85 PDE2A (0.68) PDE2APDE3BPDE3AIMPDH2MAPK1
SCHEMBL2680736 0.84 PDE2A (0.72) PDE2APDE3BPDE3AIMPDH2MAPK1
SCHEMBL955665 0.83 PDE2A (0.77) PDE2APDE3BPDE3AHSD17B10ALDH1A1
SCHEMBL17004347 0.83 PDE2A (0.61) PDE2AALDH1A1MAPTKDM4EHPGD

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 2/4885PDE3B 13/4885PDE3A 12/4885

“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.