SCHEMBL935272

SCHEMBL935272

O=c1[nH]c2ccccc2c(-c2cccc(C=Cc3ccccc3)c2)c1-c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.48
MMP2 P08253 3/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP13 P45452 2/20 0.45
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
MAPT P10636 2/20 0.42
PADI4 Q9UM07 3/20 0.42
PARP1 P09874 1/20 0.40
PDE9A O76083 1/20 0.40
LMNA P02545 2/20 0.39
MAPK14 Q16539 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ASAH1 Q13510 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL935270 1.00 PDE2A (0.48) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL2680660 0.93 PDE2A (0.49) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL2680659 0.93 PDE2A (0.49) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL2681214 0.88 PDE2A (0.60) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL2681363 0.88 PADI4 (0.52) PDE2ACDK5CDK5R1PADI4MAPK14
SCHEMBL2681360 0.88 PADI4 (0.52) PDE2ACDK5CDK5R1PADI4MAPK14
SCHEMBL2681216 0.88 PDE2A (0.60) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL957899 0.88 PDE2A (0.53) PDE2AMMP2MMP9MMP8MMP13
SCHEMBL2680375 0.84 PDE2A (0.69) PDE2AMAPTLMNAHPGDHTT
SCHEMBL2680376 0.84 PDE2A (0.69) PDE2AMAPTLMNAHPGDHTT

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 6 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

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 2/4885MMP2 1946/4885MMP9 2484/4885

“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.