SCHEMBL20150755

SCHEMBL20150755

CCc1nn(C(c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(N)c1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.51
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
RPS6KB1 P23443 1/20 0.36
BTK Q06187 3/20 0.35
CHRM2 P08172 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL18290688 0.91 PDE2A (0.57) PDE2ARPS6KB1BTKCHRM2CCR5
SCHEMBL18290683 0.87 PDE2A (0.45) PDE2ARPS6KB1BTK
SCHEMBL20150757 0.85 PDE2A (0.55) PDE2ABTK
SCHEMBL18285734 0.84 PDE2A (0.60) PDE2ACCR5
SCHEMBL20150749 0.83 PDE2A (0.52) PDE2APTGDR2
SCHEMBL20202571 0.82 PDE2A (0.46) PDE2ARPS6KB1BTK
SCHEMBL20150748 0.81 PDE2A (0.49) PDE2APTGDR2BTK
SCHEMBL20150758 0.81 PDE2A (0.42) PDE2ASCN9ASCN5APTGDR2
SCHEMBL20150744 0.81 PDE2A (0.48) PDE2APTGDR2
SCHEMBL18290691 0.77 PDE2A (0.61) PDE2ABTK

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-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 (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-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PDE2A 2/4885SCN9A 2132/4885SCN5A 1121/4885

“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.