SCHEMBL23143262

SCHEMBL23143262

COc1ncncc1CNC(=O)c1cnc(OC(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ ROCK2 O75116 4/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ ROCK1 Q13464 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ GRK5 P34947 1/20 0.35
▸ PRKX P51817 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL29766199 1.00 HPGDS (0.39) HPGDSEPHX2ROCK2CHRM4CTSA
SCHEMBL27188806 0.91 POLB (0.37) HPGDSEPHX2ROCK2POLBGAA
SCHEMBL29896095 0.91 SCN2A (0.41) HPGDSEPHX2ROCK2MAPK1GAA
SCHEMBL23143274 0.91 SCN2A (0.41) HPGDSEPHX2ROCK2MAPK1GAA
SCHEMBL29896099 0.89 SCN9A (0.39) HPGDSEPHX2ROCK2CTSAROCK1
SCHEMBL23143259 0.89 SCN9A (0.39) HPGDSEPHX2ROCK2CTSAROCK1
SCHEMBL27188850 0.88 EPHX2 (0.40) HPGDSEPHX2ROCK2ROCK1MAPK1
SCHEMBL27188859 0.88 GAA (0.36) HPGDSEPHX2ROCK2CHRM4GAA
SCHEMBL27188833 0.87 HPGDS (0.35) HPGDSEPHX2ROCK2GAA
SCHEMBL23143278 0.86 PDE4A (0.38) —

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 6 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 claimed
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 HPGDS 2677/4885EPHX2 4315/4885ROCK2 4595/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B HPGDS 2677/4885EPHX2 4315/4885ROCK2 4595/4885

“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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