SCHEMBL937313

SCHEMBL937313

O=c1[nH]c2ccccc2c(OCC2CCNCC2)c1-c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.64
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
KDR P35968 1/20 0.42
CHEK1 O14757 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TYMP P19971 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
PDE9A O76083 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2680450 0.90 PDE2A (0.60) PDE2ATYMPCCNA2CDK2CCNA1
SCHEMBL935955 0.88 PDE2A (0.54) PDE2ACHEK1HDAC3HDAC1HDAC2
SCHEMBL965152 0.87 PDE2A (0.65) PDE2AHDAC3HDAC1HDAC2
SCHEMBL2680452 0.86 PDE2A (0.76) PDE2AHDAC3HDAC1HDAC2SLC6A2
SCHEMBL2680466 0.85 PDE2A (0.82) PDE2AHDAC3HDAC1HDAC2SLC6A2
SCHEMBL2680305 0.84 PDE2A (0.63) PDE2ACHEK1HDAC3HDAC1HDAC2
SCHEMBL2680306 0.84 PDE2A (0.70) PDE2AHDAC3HDAC1HDAC2CCNA2
SCHEMBL2681705 0.84 PDE2A (0.60) PDE2AHDAC3HDAC1HDAC2
SCHEMBL2681127 0.84 PDE2A (0.65) PDE2APDGFRBFGFR1KDRHDAC3
SCHEMBL935940 0.83 PDE2A (0.62) PDE2AHDAC3HDAC1HDAC2

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 11 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-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 2/4885PDGFRB 3157/4885FGFR1 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.