SCHEMBL16868190

SCHEMBL16868190

COc1ccc(Cc2nc(C(=O)O)cc(=O)[nH]2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 15/20 0.59
POLB P06746 1/20 0.52
RNASEH1 O60930 1/20 0.52
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL16867669 0.89 PDE2A (0.62) PDE2A
SCHEMBL16867690 0.81 PDE2A (0.69) PDE2A
SCHEMBL18383466 0.79 PDE2A (0.50) PDE2A
SCHEMBL403588 0.75 PDE5A (0.53) PDE2APOLBRNASEH1KDM4EALDH1A1
SCHEMBL16867689 0.75 PDE2A (1.00) PDE2A
SCHEMBL19571234 0.75 PDE2A (1.00) PDE2A
SCHEMBL403796 0.75 PDE5A (0.64) PDE2APOLBRNASEH1KDM4EALDH1A1
SCHEMBL16867691 0.74 PDE2A (1.00) PDE2A
SCHEMBL405407 0.74 POLB (0.57) PDE2APOLBRNASEH1KDM4EALDH1A1
SCHEMBL403861 0.74 RNASEH1 (0.51) PDE2APOLBRNASEH1KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087060-B1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-05-13 EP disclosed
US-9815796-B2 Pyrimidone carboxamide compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-9815796-B2 Pyrimidone carboxamide compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-20170015633-A1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-19 US disclosed
US-20170015633-A1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-19 US disclosed
WO-2015096651-A1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-02 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-20170015633-A1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE3A PDE2A 1/4885POLB 623/4885RNASEH1 1310/4885

“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.