SCHEMBL997352

SCHEMBL997352

O=c1[nH]c2ccccc2c(/C=C/c2ccccn2)c1-c1cccs1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.77
PADI4 Q9UM07 2/20 0.46
FGFR1 P11362 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
TDO2 P48775 1/20 0.43
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PARP1 P09874 2/20 0.40

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
SCHEMBL997354 1.00 PDE2A (0.77) PDE2APADI4FGFR1NPC1RAB9A
SCHEMBL960211 0.87 PDE2A (1.00) PDE2APADI4FGFR1NPC1RAB9A
SCHEMBL960212 0.87 PDE2A (1.00) PDE2APADI4FGFR1NPC1RAB9A
SCHEMBL17004320 0.84 PDE2A (0.67) PDE2APADI4FGFR1NPC1RAB9A
SCHEMBL2681216 0.82 PDE2A (0.60) PDE2APADI4FGFR1NPC1RAB9A
SCHEMBL2681214 0.82 PDE2A (0.60) PDE2APADI4FGFR1NPC1RAB9A
SCHEMBL935324 0.82 PADI4 (0.62) PDE2APADI4FGFR1NPC1RAB9A
SCHEMBL935325 0.82 PADI4 (0.62) PDE2APADI4FGFR1NPC1RAB9A
SCHEMBL956454 0.74 PDE2A (0.54) PDE2ANPC1RAB9ATDO2LMNA
SCHEMBL17004296 0.73 PDE2A (0.47) PDE2APADI4NPC1RAB9ATDO2

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 14 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
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 2/4885PADI4 494/4885FGFR1 4028/4885

“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.