SCHEMBL2342292

SCHEMBL2342292

CC(C)c1nc(N)nc(-c2ccc(F)cc2)c1I

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.45
ADORA1 P30542 8/20 0.43
ADORA2B P29275 3/20 0.42
HRH2 P25021 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SCN9A Q15858 1/20 0.40
MAPK14 Q16539 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
CHUK O15111 1/20 0.38
GCGR P47871 5/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
DHFR P00374 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL15481449 0.83 GCGR (0.41) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL2346398 0.81 ADORA2A (0.45) ADORA2AADORA1ADORA2BHRH2HRH3
SCHEMBL2343803 0.81 GCGR (0.43) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL2344461 0.81 GCGR (0.40) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL2343909 0.81 ADORA2A (0.45) ADORA2AADORA1ADORA2BHRH2HRH3
SCHEMBL2340032 0.79 ADORA1 (0.48) ADORA2AADORA1ADORA2BSCN9AMAPK14
SCHEMBL6082682 0.77 ADORA2A (0.44) ADORA2AADORA1ADORA2BHRH2HRH3
SCHEMBL16501209 0.76 PTGS2 (0.39) GCGR
SCHEMBL2345988 0.76 ALOX5 (0.44) SCN9AMAPK14GCGRMAPK13MAPK12
SCHEMBL21801529 0.76 ADORA2A (0.49) ADORA2AADORA1ADORA2BHRH2HRH3

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
CN-101084197-B Process for the preparation of rosuvastatin ASTRAZENECA UK LTD 2012-06-13 CN claimed
EP-2361906-A1 Process for preparing rosuvastatin AstraZeneca UK Limited (GB) 2011-08-31 EP claimed
US-20080207903-A1 Chemical Process ASTRAZENECA UK LIMITED (GB) 2008-08-28 US claimed
EP-1871747-A2 PROCESS FOR PREPARING ROSUVASTATIN AstraZeneca UK Limited (GB) 2008-01-02 EP claimed
CN-101084197-A Process for the preparation of rosuvastatin ASTRAZENECA UK LTD (GB) 2007-12-05 CN claimed
WO-2006067456-A2 PROCESS FOR PREPARING ROSUVASTATIN ASTRAZENECA UK LIMITED (GB) 2006-06-29 WO claimed
CN-101084197-B Process for the preparation of rosuvastatin ASTRAZENECA UK LTD 2012-06-13 CN disclosed
US-8034932-B2 Hydroxy-3-methylglutaryl/3-/ coenzyme A reductase inhibitor; anticholesterol agents;dyslipidemia; chemical intermediate for rosuvastatin ASTRAZENECA UK LIMITED (GB) 2011-10-11 US disclosed
EP-2361906-A1 Process for preparing rosuvastatin AstraZeneca UK Limited (GB) 2011-08-31 EP disclosed
US-20080207903-A1 Chemical Process ASTRAZENECA UK LIMITED (GB) 2008-08-28 US disclosed
EP-1871747-A2 PROCESS FOR PREPARING ROSUVASTATIN AstraZeneca UK Limited (GB) 2008-01-02 EP disclosed
CN-101084197-A Process for the preparation of rosuvastatin ASTRAZENECA UK LTD (GB) 2007-12-05 CN disclosed
WO-2006067456-A2 PROCESS FOR PREPARING ROSUVASTATIN ASTRAZENECA UK LIMITED (GB) 2006-06-29 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-20080207903-A1 Chemical Process CYP2C9, CYP2B6, CYP7A1 ADORA2A 4749/4885ADORA1 4310/4885ADORA2B 4043/4885

“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.