SCHEMBL2680306

SCHEMBL2680306

O=c1[nH]c2ccc(-c3ccncc3)cc2c(OCC2CCNCC2)c1-c1cccs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.70
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
TRIM58 Q8NG06 1/20 0.37
KDM1A O60341 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL965152 0.93 PDE2A (0.65) PDE2AHDAC3HDAC1HDAC2TRIM58
SCHEMBL2681714 0.91 PDE2A (0.76) PDE2AHDAC3HDAC1HDAC2KDM1A
SCHEMBL2680699 0.91 PDE2A (0.68) PDE2AHDAC3HDAC1HDAC2TRIM58
SCHEMBL2680305 0.91 PDE2A (0.63) PDE2AHDAC3HDAC1HDAC2TRIM58
SCHEMBL2681127 0.89 PDE2A (0.65) PDE2AHDAC3HDAC1HDAC2TRIM58
SCHEMBL957497 0.88 PDE2A (0.61) PDE2AHDAC3HDAC1HDAC2KDM1A
SCHEMBL2681705 0.85 PDE2A (0.60) PDE2AHDAC3HDAC1HDAC2
SCHEMBL935940 0.84 PDE2A (0.62) PDE2AHDAC3HDAC1HDAC2KDM1A
SCHEMBL2680452 0.84 PDE2A (0.76) PDE2AHDAC3HDAC1HDAC2KDM1A
SCHEMBL937313 0.84 PDE2A (0.64) PDE2AHDAC3HDAC1HDAC2CCNA2

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
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
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

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 2/4885HDAC3 464/4885HDAC1 484/4885

“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.