SCHEMBL959586

SCHEMBL959586

O=c1[nH]c2ccccc2c(OCC2CCNCC2)c1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.51
MAPK14 Q16539 2/20 0.47
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
KDR P35968 1/20 0.45
CDK5 Q00535 4/20 0.42
CDK5R1 Q15078 4/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
IMPDH2 P12268 1/20 0.40
SYK P43405 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
SCHEMBL936130 0.89 PDE2A (0.56) PDE2APDGFRBFGFR1KDRIKBKB
SCHEMBL937313 0.82 PDE2A (0.64) PDE2APDGFRBFGFR1KDR
SCHEMBL2680943 0.79 MAOA (0.50) PDE2APDGFRBFGFR1KDR
SCHEMBL2680306 0.79 PDE2A (0.70) PDE2AIKBKBCHUK
SCHEMBL936013 0.77 CYP2D6 (0.46) PDE2APDGFRBFGFR1KDRSYK
SCHEMBL959055 0.77 MAOA (0.43) PDE2APDGFRBFGFR1KDR
SCHEMBL17004334 0.75 PDE2A (0.57) PDE2AIKBKBCHUKSYK
SCHEMBL2681127 0.73 PDE2A (0.65) PDE2APDGFRBFGFR1KDR
SCHEMBL2681714 0.72 PDE2A (0.76) PDE2AIKBKBCHUK
SCHEMBL965152 0.72 PDE2A (0.65) PDE2ASYK

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
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
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

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 2/4885MAPK14 2536/4885PDGFRB 3157/4885

“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.