SCHEMBL2990908

SCHEMBL2990908

O=C1N=C(Nc2cc(C(=O)NCCO)ccc2Cl)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
DYRK3 O43781 3/20 0.42
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
PIK3CD O00329 1/20 0.40
PIM1 P11309 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
CLK1 P49759 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
HASPIN Q8TF76 1/20 0.40
DYRK2 Q92630 1/20 0.40
MYLK2 Q9H1R3 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
STK17A Q9UEE5 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
HTT P42858 2/20 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
SCHEMBL2990906 1.00 HDAC1 (0.44) HDAC1HDAC6DYRK3CSNK2A2CSNK2B
SCHEMBL2983860 0.95 HDAC1 (0.43) HDAC1HDAC6DYRK3CSNK2A2CSNK2B
SCHEMBL2983859 0.95 HDAC1 (0.43) HDAC1HDAC6DYRK3CSNK2A2CSNK2B
SCHEMBL2996295 0.93 HDAC1 (0.44) HDAC1HDAC6DYRK3CSNK2A2CSNK2B
SCHEMBL2996301 0.93 HDAC1 (0.44) HDAC1HDAC6DYRK3CSNK2A2CSNK2B
SCHEMBL2993800 0.91 HDAC1 (0.42) HDAC1HDAC6DYRK3CSNK2A2CSNK2B
SCHEMBL2993804 0.91 HDAC1 (0.42) HDAC1HDAC6DYRK3CSNK2A2CSNK2B
SCHEMBL2997101 0.91 DYRK3 (0.42) HDAC1HDAC6DYRK3CSNK2A2CSNK2B
SCHEMBL2997096 0.91 DYRK3 (0.42) HDAC1HDAC6DYRK3CSNK2A2CSNK2B
Trifluoroacetic Acid SCHEMBL4090201 0.90 HDAC1 (0.40) HDAC1HDAC6DYRK3CSNK2A2CSNK2B

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 9 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
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP claimed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 HDAC1 467/4885HDAC6 1398/4885DYRK3 3748/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 HDAC1 1549/4885HDAC6 194/4885DYRK3 1471/4885

“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.