SCHEMBL7921207

SCHEMBL7921207

CCOC(=O)/C=C/c1c(C)nc(N)nc1N[C@@H]1CCOC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
CNKSR1 Q969H4 1/20 0.34
CHRM4 P08173 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
ADORA1 P30542 7/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
PDE4B Q07343 2/20 0.32
CTSK P43235 1/20 0.32
BRAF P15056 1/20 0.32
P2RY12 Q9H244 1/20 0.32
GPR6 P46095 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL13227978 1.00 SYK (0.35) SYKCNKSR1CHRM4MAPK8MAPK9
SCHEMBL10043016 0.94 PDE4B (0.37) CNKSR1CHRM4PDE4BCA12CA1
SCHEMBL3338943 0.87 CNKSR1 (0.34) SYKCNKSR1MAPK8MAPK9ADORA1
SCHEMBL394569 0.86 CHRM4 (0.36) CHRM4MAPK8MAPK9ADORA1ADORA3
SCHEMBL394570 0.86 CHRM4 (0.36) CHRM4MAPK8MAPK9ADORA1ADORA3
SCHEMBL8210284 0.85 ALOX15 (0.40) CNKSR1
SCHEMBL13406842 0.84 CHUK (0.37) CNKSR1MAPK8MAPK9CA12CA1
SCHEMBL8210412 0.84 CHUK (0.37) CNKSR1MAPK8MAPK9CA12CA1
SCHEMBL8202236 0.83 MAPK8 (0.38) CNKSR1MAPK8MAPK9
SCHEMBL12680250 0.80 PIK3CA (0.39) CNKSR1P2RY12PIK3CA

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-8101622-B2 Pyridopyrimidinone inhibitors of PI3Kα and mTOR EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-8101622-B2 Pyridopyrimidinone inhibitors of PI3Kα and mTOR EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR EXELIXIS, INC. (US) 2010-04-08 US disclosed
US-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR EXELIXIS, INC. (US) 2010-04-08 US disclosed
WO-2010039740-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα AND MTOR EXELIXIS, INC. (US) 2010-04-08 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-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR PIK3CD, PIK3CA, MTOR SYK 322/4885CNKSR1 645/4885CHRM4 4873/4885

“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.