SCHEMBL20150754

SCHEMBL20150754

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 14/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.38
RET P07949 2/20 0.36
KIF11 P52732 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL20150749 0.86 PDE2A (0.52) PDE2APTGDR2
SCHEMBL18291814 0.85 PDE2A (0.52) PDE2AALDH1A1
SCHEMBL20150745 0.83 PDE2A (0.46) PDE2APTGDR2RETALDH1A1
SCHEMBL20150746 0.83 PDE2A (0.49) PDE2AALDH1A1
SCHEMBL20138450 0.83 PDE2A (0.71) PDE2ARET
SCHEMBL20150751 0.83 PDE2A (0.46) PDE2APTGDR2RETALDH1A1
SCHEMBL20150753 0.80 PDE2A (0.46) PDE2APTGDR2RETALDH1A1
SCHEMBL20150742 0.80 PDE2A (0.72) PDE2A
SCHEMBL20150747 0.80 PDE2A (0.46) PDE2ARET
SCHEMBL20150756 0.78 PDE2A (0.50) PDE2APTGDR2

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 2/4885PTGDR2 93/4885RET 2086/4885

“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.