SCHEMBL27188886

SCHEMBL27188886

O=C(NCc1cnccc1C(F)F)c1cnc(OC(F)F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.39
▸ SCN2A Q99250 2/20 0.37
▸ SCN10A Q9Y5Y9 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ HPGDS O60760 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ VNN1 O95497 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
SCHEMBL29896142 1.00 ROCK2 (0.39) ROCK2SCN2ASCN10AGAAHPGDS
SCHEMBL27188837 0.88 GAA (0.41) ROCK2GAAEPHX2LMNA
SCHEMBL29896103 0.88 GAA (0.41) ROCK2GAAEPHX2LMNA
SCHEMBL29896173 0.87 PIK3CA (0.43) ROCK2SCN2ASCN10AGAAEPHX2
SCHEMBL29896091 0.87 ROCK2 (0.41) ROCK2SCN2ASCN10AGAAHPGDS
SCHEMBL23143264 0.87 PIK3CA (0.43) ROCK2SCN2ASCN10AGAAEPHX2
SCHEMBL27188830 0.87 ROCK2 (0.41) ROCK2SCN2ASCN10AGAAHPGDS
SCHEMBL27188884 0.87 SCN2A (0.41) ROCK2SCN2ASCN10AGAALMNA
SCHEMBL29896188 0.87 SCN2A (0.41) ROCK2SCN2ASCN10AGAALMNA
SCHEMBL29896088 0.85 POLB (0.44) ROCK2HPGDSEPHX2L3MBTL1

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 3 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

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-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B ROCK2 4595/4885SCN2A 31/4885SCN10A 29/4885

“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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