SCHEMBL20695308

SCHEMBL20695308

Cc1c(F)ccc(F)c1-c1ccc(C(=O)N2CC3(CCC(=O)N3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ PDCD1LG2 Q9BQ51 2/20 0.36
▸ CD274 Q9NZQ7 2/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ MGLL Q99685 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ FASN P49327 2/20 0.34
▸ NOS1 P29475 2/20 0.34
▸ NOS2 P35228 2/20 0.34
▸ CECR2 Q9BXF3 1/20 0.34
▸ NAMPT P43490 2/20 0.33
▸ TTR P02766 1/20 0.33
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32

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
SCHEMBL20695461 0.89 TTR (0.44) PKMPDCD1LG2CD274CRBNMGLL
SCHEMBL20695423 0.85 MGLL (0.41) PKMCRBNMGLLFASNNAMPT
SCHEMBL20695342 0.84 CD274 (0.40) PDCD1LG2CD274CRBNMGLLMEN1
SCHEMBL20695199 0.82 PKM (0.42) PKMPDCD1LG2CD274CRBNMGLL
SCHEMBL20695434 0.81 FASN (0.43) PKMPDCD1LG2CD274CRBNMGLL
SCHEMBL20695167 0.81 MGLL (0.39) PKMCRBNMGLLFASNNAMPT
SCHEMBL20695153 0.80 SLC6A7 (0.42) MGLLGAA
SCHEMBL20695147 0.80 FASN (0.42) PKMCRBNMGLLFASNCECR2
SCHEMBL20695210 0.78 MAPK1 (0.50) CRBNMEN1LMNAKMT2AFASN
SCHEMBL20695358 0.78 CD274 (0.40) PKMPDCD1LG2CD274CRBNMGLL

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 PKM 2129/4885PDCD1LG2 488/4885CD274 403/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE PKM 2129/4885PDCD1LG2 488/4885CD274 403/4885

“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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