SCHEMBL18103271

SCHEMBL18103271

COC(=O)C(Br)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.55
MAPK1 P28482 1/20 0.49
CFTR P13569 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR35 Q9HC97 1/20 0.40
CYP2D6 P10635 1/20 0.40
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL10441577 0.85 MAPK1 (0.58) PDE2AMAPK1CFTRMRGPRX4MAPT
SCHEMBL18075465 0.84 PDE2A (0.60) PDE2AMAPK1CFTRMRGPRX4MAPT
SCHEMBL18097879 0.84 PDE2A (0.53) PDE2AMAPK1CFTRCYP1A2CYP2C19
SCHEMBL19914016 0.84 PDE2A (0.59) PDE2ACYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL18358271 0.83 PDE2A (0.55) PDE2AMAPK1CFTRMRGPRX4MAPT
SCHEMBL11295277 0.81 NR3C2 (0.52)
SCHEMBL30065589 0.81 NR3C2 (0.52)
SCHEMBL30369402 0.80 LMNA (0.49) MAPTLMNA
SCHEMBL4026932 0.80 LMNA (0.49) MAPTLMNA
SCHEMBL18103273 0.79 MAPK1 (0.43) MAPK1MAPTKDM4ELMNA

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-3285581-B1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-11 EP 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-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
WO-2016154081-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 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 (2 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-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE5A PDE2A 1/4885MAPK1 1235/4885CFTR 3461/4885
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A PDE2A 1/4885MAPK1 1235/4885CFTR 3461/4885

“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.