SCHEMBL961087

SCHEMBL961087

COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(C#Cc4ccccn4)c3)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.73
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HCRTR1 O43613 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL2681280 0.89 PDE2A (0.75) PDE2ANPC1RAB9ATDP1PDE3B
SCHEMBL2680677 0.88 PDE2A (0.68) PDE2ATDP1POLBPDE3BPDE3A
SCHEMBL936491 0.87 PDE2A (0.54) PDE2ANPC1RAB9AHCRTR1POLB
SCHEMBL956792 0.85 PDE2A (1.00) PDE2AHCRTR1TDP1POLBPDE3B
SCHEMBL959342 0.83 PDE2A (0.66) PDE2ATDP1POLBPDE3BPDE3A
SCHEMBL2681257 0.82 PDE2A (0.75) PDE2ATDP1PDE3BPDE3AKDM4E
SCHEMBL2681255 0.82 PDE2A (0.75) PDE2ATDP1PDE3BPDE3AKDM4E
SCHEMBL2680045 0.81 PDE2A (0.64) PDE2AKDM4EALDH1A1MAPTHPGD
SCHEMBL955665 0.81 PDE2A (0.77) PDE2ANPC1RAB9ATDP1PDE3B
SCHEMBL961084 0.81 PDE2A (0.76) PDE2ATDP1POLBPDE3BPDE3A

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 13 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-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
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 2/4885NPC1 3453/4885RAB9A 544/4885

“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.