SCHEMBL29896133

SCHEMBL29896133

CCOc1ncncc1CNC(=O)c1cnc(OC(F)F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 2/20 0.45
▸ SCN10A Q9Y5Y9 2/20 0.45
▸ MAPK8 P45983 1/20 0.41
▸ ABL1 P00519 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ EPHX2 P34913 5/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ DDR1 Q08345 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ HPGDS O60760 1/20 0.34

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
SCHEMBL27188873 1.00 SCN2A (0.45) SCN2ASCN10AMAPK8ABL1KCNH2
SCHEMBL23143259 0.91 SCN9A (0.39) SCN2ASCN10AEPHX2ALDH1A1MAPK1
SCHEMBL29896099 0.91 SCN9A (0.39) SCN2ASCN10AEPHX2ALDH1A1MAPK1
SCHEMBL29896095 0.89 SCN2A (0.41) SCN2ASCN10AMAPK8ABL1KCNH2
SCHEMBL23143274 0.89 SCN2A (0.41) SCN2ASCN10AMAPK8ABL1KCNH2
SCHEMBL27188869 0.87 SCN9A (0.38) ABL1SCN9A
SCHEMBL29896144 0.87 SCN9A (0.38) ABL1SCN9A
SCHEMBL29896090 0.85 SCN2A (0.46) SCN2ASCN10AMAPK8ABL1EPHX2
SCHEMBL27188824 0.85 SCN2A (0.46) SCN2ASCN10AMAPK8ABL1EPHX2
SCHEMBL29896176 0.82 PIK3CA (0.42) SCN2ASCN10AMAPK8DDR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SCN2A 31/4885SCN10A 29/4885MAPK8 1051/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B SCN2A 31/4885SCN10A 29/4885MAPK8 1051/4885

“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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