SCHEMBL22729477

SCHEMBL22729477

Cc1cn(-c2ccccc2OCC(F)(F)F)c(=O)c2c(C(=O)Nc3ccc(C#N)cn3)cnn12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.43
▸ UGCG Q16739 2/20 0.42
▸ CACNA1H O95180 3/20 0.41
▸ CACNA1G O43497 2/20 0.39
▸ CACNA1C Q13936 2/20 0.39
▸ CACNA1I Q9P0X4 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HCRTR2 O43614 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ EP300 Q09472 2/20 0.35
▸ GCK P35557 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL29839343 1.00 SCN9A (0.43) SCN9AUGCGCACNA1HCACNA1GCACNA1C
SCHEMBL29839298 0.85 UGCG (0.48) SCN9AUGCG
SCHEMBL22729804 0.85 UGCG (0.48) SCN9AUGCG
SCHEMBL29907378 0.82 UGCG (0.59) SCN9AUGCGCACNA1HCACNA1GCACNA1C
SCHEMBL29839326 0.82 UGCG (0.51) SCN9AUGCG
SCHEMBL22729643 0.82 UGCG (0.51) SCN9AUGCG
SCHEMBL22729782 0.81 UGCG (0.43) SCN9AUGCGCYP3A4MEN1KMT2A
SCHEMBL22729397 0.80 UGCG (0.67) SCN9AUGCG
SCHEMBL29839299 0.80 UGCG (0.67) SCN9AUGCG
SCHEMBL22729450 0.80 UGCG (0.47) SCN9AUGCGMEN1KMT2A

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 SCN9A 2915/4885UGCG 8/4885CACNA1H 2317/4885

“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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