SCHEMBL3452091

SCHEMBL3452091

CS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)cc(N3CCC(O)CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
JAK3 P52333 5/20 0.49
JAK2 O60674 4/20 0.49
VCP P55072 2/20 0.46
AURKA O14965 1/20 0.43
FLT3 P36888 1/20 0.43
HRH1 P35367 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
PTK2 Q05397 3/20 0.42
GPR119 Q8TDV5 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41

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
SCHEMBL3450928 0.90 JAK2 (0.46) PTGS2JAK3JAK2AURKAFLT3
SCHEMBL3452008 0.90 IKBKB (0.53) JAK3JAK2AURKAIKBKB
SCHEMBL3451118 0.90 JAK2 (0.61) JAK3JAK2AURKAFLT3HRH1
SCHEMBL3450888 0.89 JAK2 (0.45) PTGS2JAK3JAK2AURKAFLT3
SCHEMBL13127073 0.87 JAK2 (0.43) PTGS2JAK3JAK2AURKAFLT3
SCHEMBL3452164 0.87 HRH4 (0.48) JAK3JAK2HRH1HRH4HRH2
SCHEMBL3450957 0.85 PTGS2 (0.47) PTGS2JAK3JAK2AURKAHRH1
Hydrochloric Acid SCHEMBL3450859 0.84 PTGS2 (0.46) PTGS2JAK3JAK2AURKAHRH1
SCHEMBL3451124 0.84 HRH4 (0.44) JAK3JAK2HRH1HRH4HRH2
SCHEMBL3452120 0.83 AURKA (0.48) JAK3JAK2AURKAHRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US claimed
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP claimed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
WO-2008137533-A1 METHODS AND COMPOSITIONS FOR UPREGULATION OF GATA ACTIVITY REDDY US THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
US-20080275049-A1 Methods and Compositions for Upregulation of GATA Activity REDDY US THERAPEUTICS, INC. (US) 2008-11-06 US disclosed
US-20080275049-A1 Methods and Compositions for Upregulation of GATA Activity REDDY US THERAPEUTICS, INC. (US) 2008-11-06 US disclosed
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS PTGS2 1220/4885JAK3 2746/4885JAK2 1205/4885
US-20080275049-A1 Methods and Compositions for Upregulation of GATA Activity GATAD2B, GATAD2A, RUNX1 PTGS2 1403/4885JAK3 2442/4885JAK2 1187/4885

“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.