SCHEMBL960212

SCHEMBL960212

O=c1[nH]c2ccc(Br)cc2c(C=Cc2ccccn2)c1-c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 1.00
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
FGFR1 P11362 1/20 0.38
PADI4 Q9UM07 5/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
AGTR1 P30556 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 4/20 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
SCHEMBL960211 1.00 PDE2A (1.00) PDE2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL997352 0.87 PDE2A (0.77) PDE2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL997354 0.87 PDE2A (0.77) PDE2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL936075 0.81 PDE2A (0.68) PDE2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17004320 0.80 PDE2A (0.67) PDE2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1082259 0.76 PDE2A (0.76) PDE2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2681214 0.75 PDE2A (0.60) PDE2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2681216 0.75 PDE2A (0.60) PDE2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6825750 0.74 PDE2A (0.58) PDE2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL956248 0.71 PDE2A (0.55) PDE2AGRIN2DGRIN3BGRIN1GRIN2A

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 8 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
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
EP-2456440-A1 QUINOLINONE PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-05-30 EP 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 2/4885GRIN2D 308/4885GRIN3B 483/4885

“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.