SCHEMBL396024

SCHEMBL396024

Cc1nc(N)nc(N[C@@H]2CCOC2)c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
CTSK P43235 1/20 0.39
PIK3CA P42336 4/20 0.38
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA2B P29275 3/20 0.37
ADORA1 P30542 3/20 0.37
CHRM4 P08173 1/20 0.37
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRAF P15056 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
SYK P43405 1/20 0.32
IRAK1 P51617 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MAPK8 P45983 1/20 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
SCHEMBL3733137 1.00 TLR8 (0.41) TLR8CTSKPIK3CAADORA3ADORA2A
SCHEMBL395254 0.91 PIK3CA (0.44) TLR8CTSKPIK3CACHRM4KCNH2
SCHEMBL3338843 0.81 MEN1 (0.37) CTSKADORA3ADORA2AADORA2BADORA1
SCHEMBL1983193 0.77 CHUK (0.46) TLR8PIK3CAADORA2AADORA1IRAK4
SCHEMBL1983195 0.77 CHUK (0.46) TLR8PIK3CAADORA2AADORA1IRAK4
SCHEMBL394569 0.75 CHRM4 (0.36) CTSKPIK3CAADORA3ADORA2AADORA2B
SCHEMBL394570 0.75 CHRM4 (0.36) CTSKPIK3CAADORA3ADORA2AADORA2B
SCHEMBL6235685 0.72 CTSK (0.43) CTSKMAPK1
SCHEMBL7921207 0.71 SYK (0.35) CTSKPIK3CAADORA3ADORA2AADORA2B
SCHEMBL13227978 0.71 SYK (0.35) CTSKPIK3CAADORA3ADORA2AADORA2B

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 7 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-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
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 TLR8 3987/4885CTSK 4161/4885PIK3CA 2/4885

“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.