SCHEMBL2993530

SCHEMBL2993530

O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1ccc2nccc(Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 4/20 0.41
DYRK1A Q13627 4/20 0.41
DYRK1B Q9Y463 4/20 0.41
DYRK3 O43781 3/20 0.41
DYRK2 Q92630 3/20 0.41
CLK2 P49760 2/20 0.41
CLK3 P49761 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
CSNK1E P49674 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK4 Q9NR20 1/20 0.41
PIK3CD O00329 3/20 0.41
CSNK2A2 P19784 3/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CG P48736 3/20 0.41
PIM1 P11309 3/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
GAK O14976 1/20 0.41
RPS6KA4 O75676 1/20 0.41

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
SCHEMBL2993535 1.00 CLK1 (0.41) CLK1DYRK1ADYRK1BDYRK3DYRK2
SCHEMBL2985291 0.91 CISD1 (0.40) CLK1DYRK1ADYRK1BDYRK3DYRK2
SCHEMBL2993707 0.91 CISD1 (0.40) CLK1DYRK1ADYRK1BDYRK3DYRK2
SCHEMBL2993709 0.91 CISD1 (0.40) CLK1DYRK1ADYRK1BDYRK3DYRK2
SCHEMBL2985295 0.91 CISD1 (0.40) CLK1DYRK1ADYRK1BDYRK3DYRK2
SCHEMBL4586141 0.89 PIK3CA (0.48) CLK1DYRK1ADYRK1BDYRK3DYRK2
SCHEMBL2991896 0.89 MEN1 (0.47) CLK1DYRK1ADYRK1BDYRK3DYRK2
SCHEMBL2996253 0.89 CISD1 (0.41) CLK1DYRK1ADYRK1BDYRK3DYRK2
SCHEMBL2991901 0.89 MEN1 (0.47) CLK1DYRK1ADYRK1BDYRK3DYRK2
SCHEMBL2981460 0.89 CISD1 (0.39) CLK1DYRK1ADYRK1BDYRK3DYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CLK1 1393/4885DYRK1A 1531/4885DYRK1B 1810/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CLK1 4211/4885DYRK1A 2870/4885DYRK1B 2344/4885

“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.