SCHEMBL4102008

SCHEMBL4102008

O=C1N=C(Nc2cc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)ccc2Cl)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
DYRK3 O43781 2/20 0.39
CCR3 P51677 8/20 0.38
ENPP2 Q13822 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
PIK3CD O00329 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2A2 P19784 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
CLK1 P49759 1/20 0.37
CLK3 P49761 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
DYRK1A Q13627 1/20 0.37
HASPIN Q8TF76 1/20 0.37
DYRK2 Q92630 1/20 0.37
MYLK2 Q9H1R3 1/20 0.37
CLK4 Q9HAZ1 1/20 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
SCHEMBL4102004 1.00 HPGD (0.40) HPGDDYRK3CCR3ENPP2DPP4
Trifluoroacetic Acid SCHEMBL4102474 0.95 HPGD (0.37) HPGDDYRK3CCR3ENPP2DPP4
Trifluoroacetic Acid SCHEMBL4102468 0.95 HPGD (0.37) HPGDDYRK3CCR3ENPP2DPP4
SCHEMBL2995872 0.88 ENPP2 (0.43) HPGDDYRK3CCR3ENPP2PIK3CD
SCHEMBL2995870 0.88 ENPP2 (0.43) HPGDDYRK3CCR3ENPP2PIK3CD
SCHEMBL2994111 0.86 DYRK3 (0.42) HPGDDYRK3CCR3PIK3CDPIM1
SCHEMBL2994114 0.86 DYRK3 (0.42) HPGDDYRK3CCR3PIK3CDPIM1
SCHEMBL2981534 0.83 DYRK3 (0.37) HPGDDYRK3CCR3DPP4DPP8
SCHEMBL2981532 0.83 DYRK3 (0.37) HPGDDYRK3CCR3DPP4DPP8
Trifluoroacetic Acid SCHEMBL4094715 0.83 L3MBTL1 (0.42) DYRK3CCR3ENPP2PIK3CDPIM1

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-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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US 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 (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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 HPGD 3497/4885DYRK3 1471/4885CCR3 3360/4885

“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.