SCHEMBL20138445

SCHEMBL20138445

CC(C)(c1ccc(C(F)(F)F)cc1)n1nc(COCc2ccccc2)c(C(N)=O)c1N

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.54
GHSR Q92847 2/20 0.39
AR P10275 2/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
MDM2 Q00987 1/20 0.35
RIPK2 O43353 1/20 0.35
SRC P12931 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
TACR1 P25103 1/20 0.34
PPIA P62937 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL20207772 0.84 PDE2A (0.52) PDE2AGHSRMAOBMAPTGAA
SCHEMBL18291901 0.84 PDE2A (0.38) PDE2AMAOBSRCPTGDR2
SCHEMBL18282926 0.81 PDE2A (0.76) PDE2AGHSRMDM2PTGDR2
SCHEMBL20138417 0.80 PDE2A (0.66) PDE2AGHSRARMDM2TACR1
SCHEMBL18285734 0.77 PDE2A (0.60) PDE2AGHSRMAOBTSHRMDM2
SCHEMBL6197831 0.77 PDE2A (0.52) PDE2AGHSRMAOBMAPTTSHR
SCHEMBL22423076 0.77 PDE2A (0.53) PDE2AGHSRMAOBMAPTGAA
SCHEMBL18282725 0.76 PDE2A (0.59) PDE2AGHSRMAOBMDM2TACR1
SCHEMBL20138453 0.76 PDE2A (0.70) PDE2A
SCHEMBL20138430 0.75 PDE2A (0.64) PDE2AARMAPTGAANPSR1

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-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
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 2/4885GHSR 1563/4885AR 4057/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PDE2A 2/4885GHSR 1563/4885AR 4057/4885

“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.