SCHEMBL2988154

SCHEMBL2988154

O=C1N=C(Nc2ccccc2-c2ccc3c(c2)OCO3)S/C1=C\c1ccc2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.43
DYRK2 Q92630 4/20 0.43
DYRK1B Q9Y463 4/20 0.43
PIM1 P11309 3/20 0.43
CSNK2A2 P19784 3/20 0.43
CSNK2B P67870 3/20 0.43
CSNK2A1 P68400 3/20 0.43
CLK1 P49759 2/20 0.43
CLK3 P49761 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
HASPIN Q8TF76 1/20 0.43
MYLK2 Q9H1R3 1/20 0.43
STK17A Q9UEE5 1/20 0.43
DYRK3 O43781 6/20 0.41
CDK1 P06493 4/20 0.40
PRKCD Q05655 3/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL2988157 1.00 DYRK1A (0.43) DYRK1ADYRK2DYRK1BPIM1CSNK2A2
SCHEMBL2984410 0.86 PIK3CD (0.47) DYRK1ADYRK2DYRK1BPIM1CSNK2A2
SCHEMBL2984407 0.86 PIK3CD (0.47) DYRK1ADYRK2DYRK1BPIM1CSNK2A2
SCHEMBL2990246 0.84 PIK3CD (0.46) DYRK1ADYRK2DYRK1BPIM1CSNK2A2
SCHEMBL2990249 0.84 PIK3CD (0.46) DYRK1ADYRK2DYRK1BPIM1CSNK2A2
SCHEMBL2992955 0.83 PIK3CD (0.43) DYRK1ADYRK2DYRK1BPIM1CSNK2A2
SCHEMBL2992951 0.83 PIK3CD (0.43) DYRK1ADYRK2DYRK1BPIM1CSNK2A2
SCHEMBL2990597 0.82 ALOX5 (0.55) DYRK1ADYRK2DYRK1BPIM1CSNK2A2
SCHEMBL2990591 0.82 ALOX5 (0.55) DYRK1ADYRK2DYRK1BPIM1CSNK2A2
SCHEMBL2997697 0.81 ADORA2A (0.44) DYRK1ADYRK2DYRK1BPIM1CSNK2A2

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 5 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
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 DYRK1A 2870/4885DYRK2 2094/4885DYRK1B 2344/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 DYRK1A 1531/4885DYRK2 1778/4885DYRK1B 1810/4885

“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.