SCHEMBL2680375

SCHEMBL2680375

COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(/C=C/c4ccccc4)c3)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.69
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL2680376 1.00 PDE2A (0.69) PDE2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2680854 0.93 PDE2A (0.68) PDE2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2680850 0.93 PDE2A (0.68) PDE2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2681255 0.90 PDE2A (0.75) PDE2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2681257 0.90 PDE2A (0.75) PDE2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL955665 0.90 PDE2A (0.77) PDE2AALDH1A1KDM4EPDE3BPDE3A
SCHEMBL2680419 0.89 PDE2A (0.65) PDE2AALDH1A1KDM4EPDE3BPDE3A
SCHEMBL2680421 0.89 PDE2A (0.65) PDE2AALDH1A1KDM4EPDE3BPDE3A
SCHEMBL2681280 0.86 PDE2A (0.75) PDE2AALDH1A1KDM4EPDE3BPDE3A
SCHEMBL6349005 0.85 PDE2A (0.69) PDE2AALDH1A1KDM4EPDE3BPDE3A

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 10 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
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 2/4885TUBB4A 2216/4885TUBB 1738/4885

“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.