SCHEMBL3278908

SCHEMBL3278908

N=C1C=C(N)C(=O)c2cccc(N)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.59
▸ ADORA2A P29274 4/20 0.53
▸ PTPRC P08575 1/20 0.53
▸ MAOA P21397 3/20 0.44
▸ CSNK1A1 P48729 2/20 0.44
▸ CSNK1D P48730 2/20 0.44
▸ CSNK1G1 Q9HCP0 2/20 0.44
▸ FGR P09769 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ HIPK2 Q9H2X6 1/20 0.44
▸ TDP2 O95551 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ CTH P32929 1/20 0.41
▸ PABPC1 P11940 2/20 0.39
▸ HSPA1A P0DMV8 1/20 0.39
▸ S100A4 P26447 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ PTPN1 P18031 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
SCHEMBL30594726 0.81 ADORA2A (0.57) SLC2A1ADORA2APTPRCMAOACSNK1A1
SCHEMBL28371089 0.81 ADORA2A (0.57) SLC2A1ADORA2APTPRCMAOACSNK1A1
SCHEMBL3273421 0.76 SLC2A1 (0.96) SLC2A1ADORA2APTPRCMAOACSNK1A1
SCHEMBL64318 0.75 ADORA2A (0.86) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL21840830 0.75 ADORA2A (0.78) ADORA2APTPRCMAOACSNK1A1CSNK1D
SCHEMBL29944895 0.75 ADORA2A (0.86) ADORA2APTPRCMAOACSNK1A1CSNK1D
Hydrochloric Acid SCHEMBL29365758 0.75 SLC2A1 (1.00) SLC2A1ADORA2APTPRCMAOACSNK1A1
Hydrochloric Acid SCHEMBL3343803 0.75 SLC2A1 (1.00) SLC2A1ADORA2APTPRCMAOACSNK1A1
SCHEMBL122019 0.73 ADORA2A (0.83) ADORA2APTPRCMAOACSNK1A1CSNK1D
Hydrochloric Acid SCHEMBL8643197 0.73 ADORA2A (0.83) ADORA2APTPRCMAOACSNK1A1CSNK1D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691418-B2 Composition for inhibiting or preventing the formation of a biofilm OYSTERSHELL NV (BE) 2010-04-06 — — US disclosed
US-20070258913-A1 Composition for Inhibiting or Preventing the Formation of a Biofilm OYSTERSHELL NV (BE) 2007-11-08 — — US disclosed
EP-1796656-A2 COMPOSITION FOR INHIBITING OR PREVENTING THE FORMATION OF A BIOFILM Oystershell NV (BE) 2007-06-20 — — EP disclosed
WO-2006029893-A2 COMPOSITION FOR INHIBITING OR PREVENTING THE FORMATION OF A BIOFILM OYSTERSHELL NV (BE) 2006-03-23 — — 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-20070258913-A1 Composition for Inhibiting or Preventing the Formation of a Biofilm NQO2, NFKBIA, CROCC SLC2A1 3832/4885ADORA2A 3656/4885PTPRC 4185/4885

“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.

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