SCHEMBL2680419

SCHEMBL2680419

COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(/C=C/c4cccnc4)c3)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.65
PADI4 Q9UM07 9/20 0.40
IMPDH2 P12268 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL2680421 1.00 PDE2A (0.65) PDE2APADI4IMPDH2PDE3BPDE3A
SCHEMBL2680850 0.92 PDE2A (0.68) PDE2AIMPDH2PDE3BPDE3AKDM4E
SCHEMBL2680854 0.92 PDE2A (0.68) PDE2AIMPDH2PDE3BPDE3AKDM4E
SCHEMBL2680736 0.89 PDE2A (0.72) PDE2AIMPDH2PDE3BPDE3AKDM4E
SCHEMBL2680376 0.89 PDE2A (0.69) PDE2APDE3BPDE3ACYP1A1CYP1A2
SCHEMBL2680375 0.89 PDE2A (0.69) PDE2APDE3BPDE3ACYP1A1CYP1A2
SCHEMBL2681257 0.87 PDE2A (0.75) PDE2APADI4PDE3BPDE3AKDM4E
SCHEMBL2681255 0.87 PDE2A (0.75) PDE2APADI4PDE3BPDE3AKDM4E
SCHEMBL17004370 0.85 PDE2A (0.47) PDE2APADI4CYP1A1CYP1A2CYP1B1
SCHEMBL2681360 0.85 PADI4 (0.52) PDE2APADI4

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 9 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-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 2/4885PADI4 494/4885IMPDH2 277/4885

“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.