SCHEMBL18075371

SCHEMBL18075371

CC(O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 1.00
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL12603870 0.86 PDE2A (0.76) PDE2AKCNH2
SCHEMBL2629463 0.85 PDE2A (0.73) PDE2ACYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL27519860 0.81 PDE2A (0.69) PDE2ACYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL20072514 0.81 PDE2A (0.69) PDE2ACYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL21180451 0.81 PDE2A (0.69) PDE2ACYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL29472446 0.81 PDE2A (0.69) PDE2ACYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL26620225 0.81 PDE2A (0.69) PDE2ACYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL22279497 0.81 PDE2A (0.69) PDE2ACYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL30481795 0.81 PDE2A (0.68) PDE2AHTR2A
SCHEMBL18075239 0.81 PDE2A (0.68) PDE2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3285581-B1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-11 EP disclosed
EP-3285581-B1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-11 EP disclosed
EP-3270926-B1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-04 EP disclosed
EP-3270926-B1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-04 EP disclosed
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-20180237422-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-23 US disclosed
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US disclosed
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US disclosed
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US disclosed
EP-3270926-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-01-24 EP disclosed
CN-107530343-A Triazolylpyridine ketones compound as PDE2 inhibitor 默沙东公司 2018-01-02 CN disclosed
WO-2016154081-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO disclosed
WO-2016149058-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 WO disclosed
WO-2016145614-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 WO disclosed
WO-2016149058-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 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 (4 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-20180237422-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE4D PDE2A 1/4885CYP2D6 1441/4885CYP2C9 1590/4885
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D PDE2A 1/4885CYP2D6 1441/4885CYP2C9 1590/4885
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE5A PDE2A 1/4885CYP2D6 1183/4885CYP2C9 1481/4885
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A PDE2A 1/4885CYP2D6 1183/4885CYP2C9 1481/4885

“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.