SCHEMBL29896172

SCHEMBL29896172

O=C(NCc1cnccc1OC(F)F)c1cnc(OC(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B13 Q7Z5P4 2/20 0.41
▸ ROCK2 O75116 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ SCN2A Q99250 2/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL27188857 1.00 MAPT (0.41) MAPTLMNAPOLBKMT2AHSD17B13
SCHEMBL29896160 0.93 POLB (0.43) MAPTPOLBHSD17B13ROCK2EPHX2
SCHEMBL27220652 0.93 POLB (0.43) MAPTPOLBHSD17B13ROCK2EPHX2
SCHEMBL29896176 0.88 PIK3CA (0.42) HSD17B13ROCK2GAANOX1SCN2A
SCHEMBL27188849 0.88 PIK3CA (0.42) HSD17B13ROCK2GAANOX1SCN2A
SCHEMBL29896103 0.88 GAA (0.41) MAPTLMNAPOLBKMT2AROCK2
SCHEMBL27188837 0.88 GAA (0.41) MAPTLMNAPOLBKMT2AROCK2
SCHEMBL23143259 0.81 SCN9A (0.39) POLBROCK2SCN2ASCN10AEPHX2
SCHEMBL29896167 0.81 SCN9A (0.39) HSD17B13ROCK2GAASCN2ASCN10A
SCHEMBL29896099 0.81 SCN9A (0.39) POLBROCK2SCN2ASCN10AEPHX2

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 MAPT 210/4885LMNA 1986/4885POLB 3227/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B MAPT 210/4885LMNA 1986/4885POLB 3227/4885

“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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