SCHEMBL26535943

SCHEMBL26535943

c1cc(-c2cccc(-c3ccc4sc5ncccc5c4c3)c2)cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.38
ROCK1 Q13464 1/20 0.36
PIM3 Q86V86 1/20 0.35
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
CDC7 O00311 1/20 0.33
CLK1 P49759 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
PPARG P37231 1/20 0.33
RAB9A P51151 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL26536007 0.99 LIMK1 (0.40) LIMK1ROCK1PIM3IKBKBCHUK
SCHEMBL14752007 0.95 LIMK1 (0.38) LIMK1ROCK1PIM3IKBKBCHUK
SCHEMBL15836077 0.92 LIMK1 (0.38) LIMK1ROCK1PIM3IKBKBCHUK
SCHEMBL18252332 0.87 MEN1 (0.36) LIMK1ROCK1PIM3IKBKBCHUK
SCHEMBL17701423 0.85 LIMK1 (0.40) LIMK1ROCK1PIM3PPARGRAB9A
SCHEMBL22373660 0.84 MAP4K4 (0.43) ROCK1
SCHEMBL18252330 0.84 LIMK1 (0.34) LIMK1ROCK1PIM3CDC7
SCHEMBL15836051 0.83 PLA2G2A (0.36) LIMK1ROCK1CDC7CLK1DBF4
SCHEMBL18252398 0.83 MEN1 (0.34) LIMK1ROCK1PIM3IKBKBCHUK
SCHEMBL18252193 0.82 MEN1 (0.36) LIMK1ROCK1PIM3IKBKBCHUK

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-20230322691-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-10-12 US disclosed
US-20230322691-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-10-12 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 (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-20230322691-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CCNT1, CCNE2, SCO2 LIMK1 111/4885ROCK1 4515/4885PIM3 3398/4885

“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.