SCHEMBL10239018

SCHEMBL10239018

CCCc1ccc2cc(C(=O)N(C)OC)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 5/20 0.55
DYRK1A Q13627 4/20 0.55
DYRK1B Q9Y463 2/20 0.55
CLK2 P49760 2/20 0.41
NPY2R P49146 1/20 0.40
ACHE P22303 4/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL23480396 0.90 CLK1 (0.58) CLK1DYRK1ADYRK1BCLK2NPY2R
SCHEMBL23480186 0.87 CLK1 (0.58) CLK1DYRK1ADYRK1BCLK2ICAM1
SCHEMBL1390862 0.86 CLK1 (0.55) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL10238997 0.82 CLK1 (0.62) CLK1DYRK1ADYRK1BCLK2ICAM1
SCHEMBL10239019 0.79 TBXAS1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23480249 0.79 CLK1 (0.60) CLK1DYRK1ADYRK1BCLK2ICAM1
SCHEMBL23480415 0.79 CLK1 (0.60) CLK1DYRK1ADYRK1BCLK2ICAM1
SCHEMBL159986 0.79 CLK1 (0.60) CLK1DYRK1ADYRK1BCLK2ICAM1
SCHEMBL10238986 0.79 CLK1 (0.82) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL11888470 0.76 CLK1 (0.69) CLK1DYRK1ADYRK1BCLK2NPY2R

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-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CLK1 1651/4885DYRK1A 4791/4885DYRK1B 4819/4885

“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.