SCHEMBL1983195

SCHEMBL1983195

Cc1nc(N)nc(NC2CCC(O)CC2)c1I

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.46
TLR8 Q9NR97 2/20 0.43
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPK8 P45983 6/20 0.37
MAPK9 P45984 2/20 0.36
BTK Q06187 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
FLT3 P36888 4/20 0.35
TYRO3 Q06418 3/20 0.35
MERTK Q12866 3/20 0.35
GAS6 Q14393 3/20 0.35
KIT P10721 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL1983193 1.00 CHUK (0.46) CHUKTLR8CHRM3PDE4APDE4B
SCHEMBL1982047 0.82 CHUK (0.46) CHUKTLR8CHRM3PDE4APDE4B
SCHEMBL1982045 0.82 CHUK (0.46) CHUKTLR8CHRM3PDE4APDE4B
SCHEMBL395254 0.82 PIK3CA (0.44) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL396024 0.77 TLR8 (0.41) TLR8MAPK8MAPK9ADORA2AADORA1
SCHEMBL3733137 0.77 TLR8 (0.41) TLR8MAPK8MAPK9ADORA2AADORA1
SCHEMBL19955978 0.75 PDE4A (0.46) CHUKTLR8CHRM3PDE4APDE4B
SCHEMBL26451093 0.75 PDE4D (0.39) CHUKTLR8CHRM3PDE4APDE4B
SCHEMBL1984281 0.74 CHUK (0.40) CHUKCHRM3PDE4APDE4BPDE4C
SCHEMBL8202941 0.74 CHUK (0.40) CHUKCHRM3PDE4APDE4BPDE4C

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 CHUK 445/4885TLR8 4872/4885CHRM3 3348/4885
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA CHUK 445/4885TLR8 4872/4885CHRM3 3348/4885
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA CHUK 445/4885TLR8 4872/4885CHRM3 3348/4885

“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.