SCHEMBL2983646

SCHEMBL2983646

CN(C(=O)C1CCC1)c1ccc(Cl)c(NC2=NC(=O)/C(=C/c3ccc4ncccc4c3)S2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 5/20 0.43
CLK1 P49759 2/20 0.40
CLK3 P49761 2/20 0.40
DYRK1A Q13627 2/20 0.40
DYRK2 Q92630 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
PIK3CD O00329 1/20 0.40
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
HASPIN Q8TF76 1/20 0.40
MYLK2 Q9H1R3 1/20 0.40
STK17A Q9UEE5 1/20 0.40
CDK1 P06493 4/20 0.37
PRKCD Q05655 3/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL2983649 1.00 DYRK3 (0.43) DYRK3CLK1CLK3DYRK1ADYRK2
SCHEMBL2992635 0.85 DYRK3 (0.44) DYRK3CLK1CLK3DYRK1ADYRK2
SCHEMBL2992632 0.85 DYRK3 (0.44) DYRK3CLK1CLK3DYRK1ADYRK2
SCHEMBL2998969 0.83 DYRK3 (0.44) DYRK3CLK1CLK3DYRK1ADYRK2
SCHEMBL2998972 0.83 DYRK3 (0.44) DYRK3CLK1CLK3DYRK1ADYRK2
SCHEMBL2984386 0.83 DYRK3 (0.46) DYRK3CLK1CLK3DYRK1ADYRK2
SCHEMBL2984388 0.83 DYRK3 (0.46) DYRK3CLK1CLK3DYRK1ADYRK2
SCHEMBL2992956 0.82 DYRK3 (0.44) DYRK3CLK1CLK3DYRK1ADYRK2
SCHEMBL2992954 0.82 DYRK3 (0.44) DYRK3CLK1CLK3DYRK1ADYRK2
SCHEMBL2986014 0.81 DYRK3 (0.42) DYRK3CLK1CLK3DYRK1ADYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 DYRK3 3748/4885CLK1 4211/4885CLK3 4801/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 DYRK3 1471/4885CLK1 1393/4885CLK3 524/4885

“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.