SCHEMBL21180452

SCHEMBL21180452

CC(N)c1ccc(C(F)(F)F)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.56
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
P2RX7 Q99572 1/20 0.33
KIF11 P52732 1/20 0.32
CTSS P25774 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
PNMT P11086 1/20 0.31
MPL P40238 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL18878435 0.83 PDE2A (0.59) PDE2AIDO1TDO2P2RX7CTSS
SCHEMBL4550765 0.82 IDO1 (0.51) PDE2AIDO1TDO2LMNAP2RX7
SCHEMBL4234796 0.82 IDO1 (0.51) PDE2AIDO1TDO2LMNAP2RX7
SCHEMBL29656429 0.82 IDO1 (0.51) PDE2AIDO1TDO2LMNAP2RX7
SCHEMBL14120782 0.82 IDO1 (0.51) PDE2AIDO1TDO2LMNAP2RX7
SCHEMBL29845425 0.82 IDO1 (0.51) PDE2AIDO1TDO2LMNAP2RX7
Hydrochloric Acid SCHEMBL25358651 0.81 IDO1 (0.54) PDE2AIDO1TDO2LMNAP2RX7
Hydrochloric Acid SCHEMBL28965631 0.81 IDO1 (0.54) PDE2AIDO1TDO2LMNAP2RX7
Hydrochloric Acid SCHEMBL2716131 0.81 IDO1 (0.54) PDE2AIDO1TDO2LMNAP2RX7
Hydrochloric Acid SCHEMBL29663103 0.81 IDO1 (0.54) PDE2AIDO1TDO2LMNAP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3270926-B1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-04 EP disclosed
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 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-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D PDE2A 1/4885IDO1 620/4885TDO2 663/4885

“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.