SCHEMBL22729804

SCHEMBL22729804

Cc1cn(-c2ccccc2OCC(F)(F)F)c(=O)c2c(C(=O)Nc3ccc(C#N)nc3)cnn12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 4/20 0.48
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ MALT1 Q9UDY8 8/20 0.38
▸ BRAF P15056 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ AR P10275 1/20 0.36
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ MAPT P10636 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
SCHEMBL29839298 1.00 UGCG (0.48) UGCGSCN10AMALT1BRAFSCN9A
SCHEMBL29839326 0.89 UGCG (0.51) UGCGSCN9AMAPT
SCHEMBL22729643 0.89 UGCG (0.51) UGCGSCN9AMAPT
SCHEMBL22729530 0.86 UGCG (0.48) UGCGMALT1SCN9AMAPT
SCHEMBL29839303 0.86 UGCG (0.48) UGCGMALT1SCN9AMAPT
SCHEMBL22729397 0.86 UGCG (0.67) UGCGSCN9ANR3C1MAPT
SCHEMBL29839299 0.86 UGCG (0.67) UGCGSCN9ANR3C1MAPT
SCHEMBL22729450 0.85 UGCG (0.47) UGCGMALT1SCN9AMAPT
SCHEMBL29839316 0.85 UGCG (0.47) UGCGMALT1SCN9AMAPT
SCHEMBL22729477 0.85 SCN9A (0.43) UGCGSCN9A

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-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — 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 (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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 8/4885SCN10A 2098/4885MALT1 1851/4885

“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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