SCHEMBL14752007

SCHEMBL14752007

c1cnc2sc3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.38
ROCK1 Q13464 1/20 0.36
CLK1 P49759 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
PIM3 Q86V86 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL26535943 0.95 LIMK1 (0.38) LIMK1ROCK1CLK1IKBKBCHUK
SCHEMBL26536007 0.94 LIMK1 (0.40) LIMK1ROCK1CLK1IKBKBCHUK
SCHEMBL15836077 0.87 LIMK1 (0.38) LIMK1ROCK1CLK1IKBKBCHUK
SCHEMBL18252193 0.86 MEN1 (0.36) LIMK1ROCK1CLK1IKBKBCHUK
SCHEMBL25714496 0.86 ALDH1A1 (0.37) LIMK1ROCK1CLK1PIM3POLB
SCHEMBL18252256 0.85 MEN1 (0.38) LIMK1ROCK1CLK1IKBKBCHUK
SCHEMBL22373661 0.84 NPC1 (0.43) LIMK1ROCK1CLK1NPC1POLB
SCHEMBL18252398 0.84 MEN1 (0.34) LIMK1ROCK1CLK1IKBKBCHUK
SCHEMBL15836036 0.83 LIMK1 (0.38) LIMK1ROCK1CLK1IKBKBCHUK
SCHEMBL18252332 0.83 MEN1 (0.36) LIMK1ROCK1IKBKBCHUKPIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683217-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT Materials Co., Ltd. (KR) 2020-07-22 EP disclosed
US-8952363-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2015-02-10 US disclosed
US-8952363-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2015-02-10 US disclosed
US-20130060037-A1 MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED UNIVERSAL DISPLAY CORPORATION (US) 2013-03-07 US disclosed
US-20130060037-A1 MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED UNIVERSAL DISPLAY CORPORATION (US) 2013-03-07 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-20130060037-A1 MATERIALS WITH AZA-DIBENZOTHIOPHENE OR AZA-DIBENZOFURAN CORE FOR PHOLED DDT, FZD7, BRD7 LIMK1 3666/4885ROCK1 4861/4885CLK1 4515/4885

“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.