SCHEMBL4227445

SCHEMBL4227445

CCN(CC)CCOc1ccc(Nc2nc(C)c3cc(-c4ccn[nH]4)c(=O)n(C4CCCC4)c3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.56
CCND1 P24385 3/20 0.56
CCND2 P30279 3/20 0.56
CCND3 P30281 3/20 0.56
PIK3CA P42336 12/20 0.49
SRC P12931 3/20 0.45
WEE1 P30291 2/20 0.45
RIPK2 O43353 2/20 0.44
NOD2 Q9HC29 2/20 0.44
ACVR1 Q04771 1/20 0.44
LYN P07948 1/20 0.44

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
SCHEMBL4226910 0.86 CDK4 (0.56) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL4224209 0.85 PIK3CA (0.48) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL4218283 0.80 CDK4 (0.54) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL4218445 0.80 PIK3CA (0.51) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL4220885 0.80 CDK4 (0.53) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL190547 0.79 CDK4 (0.61) CDK4CCND1CCND2CCND3
SCHEMBL4226220 0.75 PIK3CA (0.49) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL190132 0.74 CDK4 (0.62) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL4679760 0.73 CDK4 (0.57) CDK4CCND1CCND2CCND3SRC
SCHEMBL4680458 0.73 CDK4 (0.55) CDK4CCND1CCND2CCND3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931670-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K EXELIXIS INC (US) 2012-09-12 EP claimed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US claimed
EP-1931670-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K EXELIXIS INC (US) 2012-09-12 EP disclosed
EP-1931670-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K EXELIXIS INC (US) 2012-09-12 EP disclosed
US-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 US disclosed
US-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 US disclosed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US disclosed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US disclosed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US 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-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB CDK4 265/4885CCND1 805/4885CCND2 1449/4885

“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.