SCHEMBL1082259

SCHEMBL1082259

O=c1[nH]c2ccc(Br)cc2c(OCc2ccccn2)c1-c1cccs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.76
ALDH1A1 P00352 2/20 0.45
AGTR1 P30556 1/20 0.45
PDE3A Q14432 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL936369 0.87 PDE2A (0.91) PDE2APDE3AGRIN2DGRIN3BGRIN1
SCHEMBL1003413 0.87 PDE2A (1.00) PDE2APDE3AGRIN2DGRIN3BGRIN1
SCHEMBL1082751 0.86 PDE2A (0.73) PDE2AALDH1A1PDE3AGRIN2DGRIN3B
SCHEMBL936355 0.85 PDE2A (0.57) PDE2AALDH1A1AGTR1MAPTGAA
SCHEMBL6347489 0.84 PDE2A (0.70) PDE2APDE3AGRIN2DGRIN3BGRIN1
SCHEMBL959320 0.84 PDE2A (0.85) PDE2APDE3AGRIN2DGRIN3BGRIN1
SCHEMBL1083157 0.84 PDE2A (0.82) PDE2APDE3AGRIN2DGRIN3BGRIN1
SCHEMBL15617995 0.83 PDE2A (0.80) PDE2AALDH1A1PDE3AHDAC3HDAC1
SCHEMBL2681578 0.83 PDE2A (0.83) PDE2APDE3AGRIN2DGRIN3BGRIN1
SCHEMBL936456 0.83 PDE2A (0.82) PDE2AALDH1A1PDE3AHDAC3HDAC1

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
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

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 1150/4885AGTR1 1589/4885

“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.