SCHEMBL20202566

SCHEMBL20202566

Cc1ccc(C(n2nc(COCc3ccccc3)c(C(N)=O)c2N)C2(C)CC2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.60
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RET P07949 1/20 0.33
RXRA P19793 1/20 0.32
HNF4A P41235 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
BTK Q06187 1/20 0.30
GPR183 P32249 1/20 0.30

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
SCHEMBL20138414 0.90 PDE2A (0.77) PDE2ABTK
SCHEMBL20202565 0.88 PDE2A (0.54) PDE2AALDH1A1RET
SCHEMBL20202562 0.86 PDE2A (0.79) PDE2ATP53ALDH1A1LMNANPSR1
SCHEMBL18285734 0.85 PDE2A (0.60) PDE2A
SCHEMBL20202570 0.83 PDE2A (0.49) PDE2ATP53ALDH1A1LMNA
SCHEMBL18290695 0.76 PDE2A (0.58) PDE2ABTK
SCHEMBL20138405 0.76 PDE2A (0.79) PDE2A
SCHEMBL20581431 0.76 PDE2A (0.74) PDE2AALDH1A1RET
SCHEMBL18282736 0.75 PDE2A (1.00) PDE2ARET
SCHEMBL18283117 0.74 PDE2A (0.69) PDE2AALDH1A1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 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 (1 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-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PDE2A 2/4885TP53 4186/4885ALDH1A1 635/4885

“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.