SCHEMBL18097397

SCHEMBL18097397

Cc1nc(-c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)cc(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.47
KLKB1 P03952 1/20 0.45
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
TYMS P04818 1/20 0.43
PTGES O14684 1/20 0.42
KCNH2 Q12809 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
CHRM5 P08912 1/20 0.41
SCN9A Q15858 1/20 0.41
CREBBP Q92793 1/20 0.40
XDH P47989 1/20 0.40
GSK3B P49841 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
SCHEMBL19898031 0.85 PDE2A (0.46) PDE2AABL1BCRPTGESCHRM5
SCHEMBL19897978 0.79 PDE2A (0.56) PDE2ACREBBP
SCHEMBL18103284 0.79 PDE2A (0.56) PDE2ACREBBP
SCHEMBL19898059 0.79 PDE2A (0.56) PDE2ACREBBP
SCHEMBL8513871 0.74 MAT2A (0.46) KLKB1ABL1BCRTYMSKCNH2
SCHEMBL19897991 0.74 PDE2A (0.53) PDE2A
SCHEMBL19898047 0.74 PDE2A (0.53) PDE2A
SCHEMBL18103206 0.74 PDE2A (0.53) PDE2A
SCHEMBL19002057 0.73 KLKB1 (0.48) PDE2AKLKB1KCNH2
SCHEMBL8536085 0.73 ACP1 (0.47) KLKB1ABL1BCRKCNH2CHRM5

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 14 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 claimed
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US claimed
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US claimed
EP-3285581-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-28 EP claimed
WO-2016154081-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO claimed
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
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US disclosed
EP-3285581-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-28 EP disclosed
WO-2016154081-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO 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 1/4885KLKB1 3511/4885ABL1 2443/4885
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A PDE2A 1/4885KLKB1 3511/4885ABL1 2443/4885

“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.