SCHEMBL21180443

SCHEMBL21180443

CC(C)(N)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.57
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 1/20 0.39
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN5 P54829 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
KIF11 P52732 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8220063 0.84 PDE2A (0.60) PDE2AALDH1A1MAPTCES2MEN1
SCHEMBL16861424 0.82 PDE2A (0.51) PDE2AALDH1A1MAPTMEN1KMT2A
SCHEMBL3789260 0.81 PDE2A (0.56) PDE2AALDH1A1MAPTCES2MEN1
SCHEMBL21180446 0.80 PDE2A (0.54) PDE2ACES2MEN1TSHRKMT2A
SCHEMBL22140214 0.78 PDE2A (0.54) PDE2AALDH1A1MAPTCES2
SCHEMBL11600693 0.78 PDE2A (0.57) PDE2AALDH1A1MAPTCES2MEN1
SCHEMBL11598716 0.78 PDE2A (0.53) PDE2AALDH1A1MAPTCES2MEN1
SCHEMBL11599763 0.78 PDE2A (0.57) PDE2AALDH1A1MAPTCES2MEN1
SCHEMBL963755 0.76 PDE2A (0.58) PDE2AALDH1A1CES2TSHRKIF11
SCHEMBL4792259 0.76 PDE2A (0.51) PDE2AALDH1A1CES2KIF11

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 1/4885ALDH1A1 608/4885MAPT 890/4885

“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.