SCHEMBL20138430

SCHEMBL20138430

CC(c1ccc(C(F)(F)F)cc1Cl)n1nc(COCc2ccccc2)c(C(N)=O)c1N

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.64
MRGPRX4 Q96LA9 7/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AR P10275 1/20 0.39
MCL1 Q07820 1/20 0.37
CYP3A4 P08684 2/20 0.37
UGCG Q16739 2/20 0.37
RET P07949 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL20138453 0.90 PDE2A (0.70) PDE2ARET
SCHEMBL18291818 0.86 PDE2A (0.47) PDE2AMRGPRX4CYP3A4
SCHEMBL18282926 0.86 PDE2A (0.76) PDE2ARET
SCHEMBL20150750 0.84 PDE2A (0.43) PDE2ACYP3A4RET
SCHEMBL20138417 0.80 PDE2A (0.66) PDE2AARRET
SCHEMBL20138441 0.79 PDE2A (0.69) PDE2AMAPTNPSR1ARRET
SCHEMBL18283188 0.79 PDE2A (0.66) PDE2ARET
SCHEMBL18282736 0.78 PDE2A (1.00) PDE2ARET
SCHEMBL20581150 0.77 PDE2A (0.71) PDE2AMRGPRX4CYP3A4RETALDH1A1
SCHEMBL30598716 0.77 PDE2A (0.71) PDE2AMRGPRX4CYP3A4RETALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 EP disclosed
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 EP disclosed
US-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-25 US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 US 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-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D PDE2A 2/4885MRGPRX4 3496/4885GAA 180/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PDE2A 2/4885MRGPRX4 3496/4885GAA 180/4885

“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.