SCHEMBL27188837

SCHEMBL27188837

O=C(NCc1cnccc1OC(F)F)c1cnc(OC(F)F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ ROCK2 O75116 7/20 0.39
▸ MAPT P10636 4/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ PDE4A P27815 3/20 0.39
▸ PDE4B Q07343 3/20 0.39
▸ PDE4C Q08493 3/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL29896103 1.00 GAA (0.41) GAAROCK2MAPTGSK3BPDE4A
SCHEMBL29896088 0.93 POLB (0.44) ROCK2MAPTGSK3BPOLBEPHX2
SCHEMBL23143270 0.93 POLB (0.44) ROCK2MAPTGSK3BPOLBEPHX2
SCHEMBL29896188 0.92 SCN2A (0.41) GAAROCK2MAPTGSK3BLMNA
SCHEMBL27188884 0.92 SCN2A (0.41) GAAROCK2MAPTGSK3BLMNA
SCHEMBL29896102 0.90 AR (0.42) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL27188868 0.90 AR (0.42) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL27188857 0.88 MAPT (0.41) GAAROCK2MAPTGSK3BPDE4A
SCHEMBL29896172 0.88 MAPT (0.41) GAAROCK2MAPTGSK3BPDE4A
SCHEMBL29896142 0.88 ROCK2 (0.39) GAAROCK2LMNAEPHX2

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 GAA 3884/4885ROCK2 4595/4885MAPT 210/4885

“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.

Send feedback