SCHEMBL29896095

SCHEMBL29896095

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 2/20 0.41
▸ SCN10A Q9Y5Y9 2/20 0.41
▸ LMNA P02545 3/20 0.39
▸ ABL1 P00519 1/20 0.37
▸ MAPK8 P45983 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HPGDS O60760 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ ROCK2 O75116 2/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ KCNB1 Q14721 1/20 0.33

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
SCHEMBL23143274 1.00 SCN2A (0.41) SCN2ASCN10ALMNAABL1MAPK8
SCHEMBL29766199 0.91 HPGDS (0.39) MAPK1HPGDSEPHX2ROCK2GAA
SCHEMBL23143262 0.91 HPGDS (0.39) MAPK1HPGDSEPHX2ROCK2GAA
SCHEMBL27188806 0.90 POLB (0.37) HPGDSEPHX2ROCK2KMT2AGAA
SCHEMBL29896133 0.89 SCN2A (0.45) SCN2ASCN10ALMNAABL1MAPK8
SCHEMBL27188873 0.89 SCN2A (0.45) SCN2ASCN10ALMNAABL1MAPK8
SCHEMBL27188904 0.89 SCN2A (0.40) SCN2ASCN10ALMNAMAPK8MAPK1
SCHEMBL27188833 0.88 HPGDS (0.35) SCN2ASCN10ALMNAHPGDSEPHX2
SCHEMBL27188859 0.88 GAA (0.36) HPGDSEPHX2ROCK2GAAHDAC1
SCHEMBL23143278 0.87 PDE4A (0.38) DGAT2

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 29/4885LMNA 1986/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B SCN2A 31/4885SCN10A 29/4885LMNA 1986/4885

“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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