SCHEMBL23143271

SCHEMBL23143271

COc1c(F)cncc1CO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
PDE4D Q08499 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
DPP4 P27487 1/20 0.31
ATM Q13315 1/20 0.31
GFER P55789 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
BRAF P15056 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
SCHEMBL23143268 0.81 LOXL2 (0.46)
SCHEMBL24952758 0.79 PDGFRB (0.38) CYP11B1CYP11B2BRAF
SCHEMBL18807882 0.77 CA2 (0.38) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL20121220 0.74 PDXK (0.37) CYP11B2
SCHEMBL4374787 0.74 TDP1 (0.38) MAPTBRAF
SCHEMBL18807885 0.73 CA1 (0.39) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL23143275 0.73
SCHEMBL31489114 0.71 PDXK (0.39)
SCHEMBL27387671 0.71 CYP11B2 (0.41) CYP11B1CYP11B2BRAF
SCHEMBL1940273 0.71 MAPT (0.46) MAPTPDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4034257-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-05-22 EP disclosed
US-11952344-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-09 US disclosed
US-20220340527-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-27 US disclosed
EP-4034257-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-08-03 EP disclosed
WO-2021059017-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 WO 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 (2 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-20220340527-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2A, GRIN2B MAPT 210/4885PDE4D 2090/4885PDE4A 2038/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B MAPT 210/4885PDE4D 2090/4885PDE4A 2038/4885

“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.