SCHEMBL21180446

SCHEMBL21180446

Cc1cc(C(F)(F)F)ccc1C(C)(C)N

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.54
CES2 O00748 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN5 P54829 1/20 0.39
KIF11 P52732 2/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NOTUM Q6P988 1/20 0.37
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
MPL P40238 2/20 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
SCHEMBL11999123 0.83 PDE2A (0.58) PDE2ACES2MEN1KMT2APTPN5
SCHEMBL1538943 0.82 PDE2A (0.56) PDE2ACES2PTPN5KIF11TSHR
SCHEMBL21180443 0.80 PDE2A (0.57) PDE2ACES2MEN1KMT2APTPN5
SCHEMBL21994511 0.77 PDE2A (0.51) PDE2ACES2PTPN5KIF11TSHR
SCHEMBL22140215 0.76 PDE2A (0.51) PDE2ACES2MEN1KMT2AKIF11
SCHEMBL17972841 0.76 CASR (0.41) MEN1KMT2A
Hydrochloric Acid SCHEMBL31409998 0.75 HDAC6 (0.38) PDE2ATSHRMAPK1
SCHEMBL963755 0.74 PDE2A (0.58) PDE2ACES2KIF11TSHR
SCHEMBL12773796 0.74 PDE2A (0.49) PDE2ACES2MEN1KMT2AKIF11
SCHEMBL27537004 0.73 ESR1 (0.52) PDE2ACES2KIF11TSHRMAPK1

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 1/4885CES2 249/4885MEN1 4499/4885

“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.