SCHEMBL23143259

SCHEMBL23143259

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.39
▸ HPGDS O60760 4/20 0.39
▸ EPHX2 P34913 3/20 0.39
▸ CDK2 P24941 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ SCN2A Q99250 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CTSA P10619 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ POLB P06746 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
SCHEMBL29896099 1.00 SCN9A (0.39) SCN9AHPGDSEPHX2CDK2GSK3B
SCHEMBL27188873 0.91 SCN2A (0.45) SCN9AHPGDSEPHX2SCN2ASCN10A
SCHEMBL29896133 0.91 SCN2A (0.45) SCN9AHPGDSEPHX2SCN2ASCN10A
SCHEMBL29766199 0.89 HPGDS (0.39) HPGDSEPHX2ALDH1A1CTSAMAPK1
SCHEMBL23143262 0.89 HPGDS (0.39) HPGDSEPHX2ALDH1A1CTSAMAPK1
SCHEMBL27188824 0.86 SCN2A (0.46) SCN9AHPGDSEPHX2CDK2GSK3B
SCHEMBL29896090 0.86 SCN2A (0.46) SCN9AHPGDSEPHX2CDK2GSK3B
SCHEMBL27188869 0.86 SCN9A (0.38) SCN9AROCK2
SCHEMBL29896144 0.86 SCN9A (0.38) SCN9AROCK2
SCHEMBL29896160 0.85 POLB (0.43) SCN9AEPHX2CDK2GSK3BALDH1A1

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 SCN9A 131/4885HPGDS 2677/4885EPHX2 4315/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B SCN9A 131/4885HPGDS 2677/4885EPHX2 4315/4885

“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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