SCHEMBL2988231

SCHEMBL2988231

O=C1N=C(Nc2c(Cl)cccc2Cl)SC1=Cc1ccc2ncc(-c3ccccc3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.39
DYRK3 O43781 2/20 0.38
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK4 Q9NR20 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CISD1 Q9NZ45 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2988227 1.00 ALOX5 (0.39) ALOX5DYRK3CSNK1ECLK1CLK2
SCHEMBL2981430 0.86 PDGFRB (0.41) ALOX5DYRK3CSNK1ECLK1CLK2
SCHEMBL2981426 0.86 PDGFRB (0.41) ALOX5DYRK3CSNK1ECLK1CLK2
SCHEMBL2997031 0.85 MEN1 (0.39) ALOX5DYRK3CSNK1ECLK1CLK2
SCHEMBL2997036 0.85 MEN1 (0.39) ALOX5DYRK3CSNK1ECLK1CLK2
SCHEMBL2999159 0.85 DYRK3 (0.41) ALOX5DYRK3CSNK1ECLK1CLK2
SCHEMBL2999161 0.85 DYRK3 (0.41) ALOX5DYRK3CSNK1ECLK1CLK2
SCHEMBL2995162 0.84 CISD1 (0.39) ALOX5DYRK3CSNK1ECLK1CLK2
SCHEMBL2995154 0.84 CISD1 (0.39) ALOX5DYRK3CSNK1ECLK1CLK2
SCHEMBL2998823 0.83 MEN1 (0.41) ALOX5DYRK3CSNK1ECLK1CLK2

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 ALOX5 4155/4885DYRK3 1471/4885CSNK1E 931/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 ALOX5 2869/4885DYRK3 3748/4885CSNK1E 1954/4885

“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.