SCHEMBL1982115

SCHEMBL1982115

COC1CCC(Nc2nc(-n3c(C)ccc3C)nc(C)c2Br)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.37
GBA1 P04062 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
CD38 P28907 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAPK8 P45983 6/20 0.33
EHMT2 Q96KQ7 2/20 0.33
PIM1 P11309 1/20 0.33
MAPK9 P45984 3/20 0.32

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
SCHEMBL1982113 1.00 ADORA2A (0.37) ADORA2AGBA1IRAK4CD38MKNK1
SCHEMBL8210001 0.86 ADORA2A (0.39) ADORA2AGBA1IRAK4
SCHEMBL1984496 0.85 ADORA2A (0.38) ADORA2AIRAK4MAPK8PIM1
SCHEMBL1987027 0.85 ADORA2A (0.38) ADORA2AIRAK4MAPK8PIM1
SCHEMBL1984495 0.85 ADORA2A (0.38) ADORA2AIRAK4MAPK8PIM1
SCHEMBL12681475 0.85 ADORA2A (0.43) ADORA2A
SCHEMBL1984681 0.84 PIK3CA (0.37) ADORA2ACD38
SCHEMBL1984684 0.84 PIK3CA (0.37) ADORA2ACD38
SCHEMBL15453186 0.84 PIK3CA (0.37) ADORA2ACD38
SCHEMBL1984140 0.77 TLR8 (0.41) ADORA2AMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8273755-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2012-09-25 US disclosed
EP-2074122-B1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2011-06-29 EP 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
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
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 (3 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 2997/4885GBA1 4097/4885IRAK4 476/4885
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA ADORA2A 2997/4885GBA1 4097/4885IRAK4 476/4885
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA ADORA2A 2997/4885GBA1 4097/4885IRAK4 476/4885

“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.