SCHEMBL2992745

SCHEMBL2992745

O=C1N=C(Nc2cc(NS(=O)(=O)c3cccs3)ccc2Cl)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.41
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
PRKCD Q05655 2/20 0.40
AURKA O14965 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
AURKB Q96GD4 1/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL2992740 1.00 DYRK3 (0.41) DYRK3CDK1CCNB1PRKCDAURKA
Trifluoroacetic Acid SCHEMBL4094481 0.94 CCR2 (0.38) DYRK3CDK1CCNB1PRKCDAURKA
Trifluoroacetic Acid SCHEMBL4094491 0.94 CCR2 (0.38) DYRK3CDK1CCNB1PRKCDAURKA
SCHEMBL2987077 0.88 DYRK3 (0.44) DYRK3CDK1PRKCDCCNT1MAPK1
SCHEMBL2987074 0.88 DYRK3 (0.44) DYRK3CDK1PRKCDCCNT1MAPK1
SCHEMBL2990580 0.87 DYRK3 (0.44) DYRK3CDK1CCNB1PRKCDAURKA
SCHEMBL2990583 0.87 DYRK3 (0.44) DYRK3CDK1CCNB1PRKCDAURKA
SCHEMBL2995411 0.86 LMNA (0.55) DYRK3CDK1PRKCDMAPK1KMT2A
SCHEMBL2995409 0.86 LMNA (0.55) DYRK3CDK1PRKCDMAPK1KMT2A
SCHEMBL3640892 0.85 DYRK3 (0.43) DYRK3CDK1CCNB1PRKCDAURKA

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 DYRK3 3748/4885CDK1 360/4885CCNB1 172/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 DYRK3 1471/4885CDK1 2193/4885CCNB1 3817/4885

“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.