SCHEMBL20695342

SCHEMBL20695342

COc1ccc(F)c(-c2ccc(C(=O)N3CC4(CCC(=O)N4)C3)cc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 4/20 0.40
▸ PDCD1LG2 Q9BQ51 2/20 0.40
▸ MGLL Q99685 2/20 0.38
▸ FGFR1 P11362 5/20 0.37
▸ FGFR2 P21802 5/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ TNF P01375 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PDCD1 Q15116 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL20695308 0.84 PKM (0.38) CD274PDCD1LG2MGLLCRBNMEN1
SCHEMBL20695461 0.84 TTR (0.44) CD274PDCD1LG2MGLLCRBN
SCHEMBL20695423 0.81 MGLL (0.41) MGLLCRBN
SCHEMBL20695351 0.81 CRBN (0.39) CD274PDCD1LG2MGLLCRBNTSHR
SCHEMBL20695434 0.79 FASN (0.43) CD274PDCD1LG2MGLLCRBN
SCHEMBL20695167 0.79 MGLL (0.39) MGLLCRBN
SCHEMBL20695153 0.76 SLC6A7 (0.42) MGLL
SCHEMBL20695199 0.76 PKM (0.42) CD274PDCD1LG2MGLLCRBNMEN1
SCHEMBL20695147 0.76 FASN (0.42) MGLLCRBN
SCHEMBL20695210 0.74 MAPK1 (0.50) CRBNTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10610520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-07 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — EP 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-20190125728-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE CD274 403/4885PDCD1LG2 488/4885MGLL 138/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE CD274 403/4885PDCD1LG2 488/4885MGLL 138/4885

“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.

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