SCHEMBL20138450

SCHEMBL20138450

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

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.71
RET P07949 2/20 0.36
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
RXRA P19793 1/20 0.34
HNF4A P41235 1/20 0.34
GHSR Q92847 3/20 0.33
XIAP P98170 1/20 0.33
ALOX5 P09917 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
PLAU P00749 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32

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
SCHEMBL18282926 0.89 PDE2A (0.76) PDE2ARETGHSR
SCHEMBL20581431 0.88 PDE2A (0.74) PDE2ARETGHSRXIAPALOX5
SCHEMBL20138434 0.87 PDE2A (0.71) PDE2A
SCHEMBL18283117 0.86 PDE2A (0.69) PDE2ARETGHSRXIAPALOX5
SCHEMBL20138441 0.86 PDE2A (0.69) PDE2ARETGHSRXIAPLMNA
SCHEMBL18291814 0.85 PDE2A (0.52) PDE2AFFAR1FFAR4LMNA
SCHEMBL20138449 0.84 PDE2A (0.67) PDE2ARETGHSRXIAPALOX5
SCHEMBL20581150 0.84 PDE2A (0.71) PDE2ARETALOX5TSHR
SCHEMBL20581356 0.84 PDE2A (0.71) PDE2ARETALOX5TSHR
SCHEMBL20581152 0.84 PDE2A (0.71) PDE2ARETALOX5TSHR

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 2/4885RET 2086/4885FFAR1 2970/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PDE2A 2/4885RET 2086/4885FFAR1 2970/4885

“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.