SCHEMBL1984495

SCHEMBL1984495

Cc1nc(-n2c(C)ccc2C)nc(N[C@H]2CC[C@H](O)CC2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.38
ADORA1 P30542 2/20 0.37
MERTK Q12866 4/20 0.36
TYRO3 Q06418 3/20 0.36
FLT3 P36888 1/20 0.36
GAS6 Q14393 1/20 0.36
PIM1 P11309 1/20 0.36
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPK8 P45983 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
AXL P30530 2/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
MAPKAPK2 P49137 1/20 0.33
IRAK1 P51617 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL1984496 1.00 ADORA2A (0.38) ADORA2AADORA1MERTKTYRO3FLT3
SCHEMBL1987027 1.00 ADORA2A (0.38) ADORA2AADORA1MERTKTYRO3FLT3
SCHEMBL8210001 0.88 ADORA2A (0.39) ADORA2AADORA1CHRM3PDE4APDE4B
SCHEMBL12681475 0.87 ADORA2A (0.43) ADORA2AADORA1CHRM3PDE4APDE4B
SCHEMBL1982115 0.85 ADORA2A (0.37) ADORA2APIM1MAPK8IRAK4
SCHEMBL1982113 0.85 ADORA2A (0.37) ADORA2APIM1MAPK8IRAK4
SCHEMBL1984681 0.82 PIK3CA (0.37) ADORA2A
SCHEMBL15453186 0.82 PIK3CA (0.37) ADORA2A
SCHEMBL1984684 0.82 PIK3CA (0.37) ADORA2A
SCHEMBL30917356 0.79 IRAK4 (0.37) ADORA2AADORA1MERTKTYRO3PIM1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038991-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-02-06 US disclosed
US-20140038991-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-02-06 US disclosed
US-20140038991-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-02-06 US disclosed
US-8633204-B2 4-methylpyridopyrimidinone compounds PFIZER INC. (US) 2014-01-21 US disclosed
US-8633204-B2 4-methylpyridopyrimidinone compounds PFIZER INC. (US) 2014-01-21 US disclosed
US-8633204-B2 4-methylpyridopyrimidinone compounds PFIZER INC. (US) 2014-01-21 US disclosed
EP-2074122-B9 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2013-09-11 EP disclosed
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC (US) 2012-12-06 US disclosed
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC (US) 2012-12-06 US disclosed
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC (US) 2012-12-06 US disclosed
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. (US) 2010-06-03 US disclosed
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. (US) 2010-06-03 US disclosed
US-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 US disclosed
US-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 US disclosed
US-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 US disclosed
EP-2074122-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS Pfizer Products Incorporated (US) 2009-07-01 EP disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
WO-2008032162-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-03-20 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 (4 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-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA ADORA2A 2997/4885ADORA1 3396/4885MERTK 866/4885
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA ADORA2A 2997/4885ADORA1 3396/4885MERTK 866/4885
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA ADORA2A 2997/4885ADORA1 3396/4885MERTK 866/4885
US-20140038991-A1 Protein Kinase Inhibitors MAP3K1, MAP3K5, MAP3K7 ADORA2A 3585/4885ADORA1 3791/4885MERTK 656/4885

“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.