SCHEMBL20150753

SCHEMBL20150753

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
SRC P12931 3/20 0.37
KCNH2 Q12809 2/20 0.37
HSD11B1 P28845 2/20 0.36
CYP3A4 P08684 1/20 0.36
RET P07949 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PKM P14618 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
SCHEMBL18291819 0.87 PDE2A (0.49) PDE2AL3MBTL1SRCKCNH2HSD11B1
SCHEMBL20150746 0.86 PDE2A (0.49) PDE2AGPR139ALDH1A1
SCHEMBL20138449 0.84 PDE2A (0.67) PDE2AL3MBTL1HSD11B1CYP3A4RET
SCHEMBL20150745 0.83 PDE2A (0.46) PDE2ASRCKCNH2RETALDH1A1
SCHEMBL20150749 0.82 PDE2A (0.52) PDE2APTGDR2
SCHEMBL18291902 0.81 PDE2A (0.49) PDE2ASRCKCNH2RETALDH1A1
SCHEMBL20150751 0.81 PDE2A (0.46) PDE2ARETALDH1A1PTGDR2
SCHEMBL20150754 0.80 PDE2A (0.48) PDE2ARETALDH1A1PTGDR2
SCHEMBL20150747 0.80 PDE2A (0.46) PDE2ASRCKCNH2HSD11B1RET
SCHEMBL18291854 0.76 PDE2A (0.55) PDE2A

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 2/4885L3MBTL1 4517/4885SRC 3965/4885

“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.