SCHEMBL3450806

SCHEMBL3450806

CS(=O)(=O)Nc1ccc(Nc2nc(-c3ccccc3)cc(N3CCOCC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.61
JAK3 P52333 3/20 0.61
PIK3CA P42336 3/20 0.59
TSHR P16473 2/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MTOR P42345 3/20 0.53
LMNA P02545 2/20 0.49
SMG1 Q96Q15 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
RECQL P46063 1/20 0.49
PTK2 Q05397 1/20 0.49
PIK3R1 P27986 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
Hydrochloric Acid SCHEMBL3451097 0.99 JAK2 (0.60) JAK2JAK3PIK3CATSHRMAPT
SCHEMBL3451413 0.87 NPSR1 (0.67) JAK2PIK3CATSHRMAPTMAPK1
SCHEMBL3452032 0.86 MAPT (0.52) JAK2JAK3PIK3CATSHRMAPT
SCHEMBL3451118 0.86 JAK2 (0.61) JAK2JAK3PIK3CAMAPTNPSR1
SCHEMBL3450954 0.83 PTGS2 (0.62) JAK2JAK3PIK3CATSHRMAPT
SCHEMBL3451650 0.82 MAPT (0.55) JAK2JAK3PIK3CATSHRMAPT
SCHEMBL13127077 0.80 MAPT (0.64) JAK2PIK3CATSHRMAPTMAPK1
SCHEMBL3450540 0.80 SMG1 (0.66) JAK2JAK3PIK3CATSHRMAPT
SCHEMBL26806885 0.79 MAPT (0.60) PIK3CATSHRMAPTMAPK1NPSR1
SCHEMBL13127125 0.79 HRH1 (0.53) JAK2PIK3CATSHRMAPTMAPK1

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-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
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 (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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS JAK2 1205/4885JAK3 2746/4885PIK3CA 231/4885

“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.