SCHEMBL4222676

SCHEMBL4222676

Cc1nc(Nc2ccc(-n3ccnc3)cc2)nc2c1ccc(=O)n2C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.49
CCND1 P24385 20/20 0.49
CCND2 P30279 19/20 0.49
CCND3 P30281 19/20 0.49
CCNA2 P20248 7/20 0.48
CDK2 P24941 7/20 0.48
CCNE2 O96020 5/20 0.48
CCNE1 P24864 5/20 0.48
CCNA1 P78396 5/20 0.48
CCNB2 O95067 4/20 0.48
CDK1 P06493 4/20 0.48
CCNB1 P14635 4/20 0.48
CCNB3 Q8WWL7 4/20 0.48
PAK4 O96013 1/20 0.48
PAK1 Q13153 1/20 0.48
PKN1 Q16512 1/20 0.48
NUAK1 O60285 2/20 0.48
MARK3 P27448 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
MARK4 Q96L34 1/20 0.48

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
SCHEMBL3341336 0.83 CDK4 (0.49) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL3344302 0.82 CDK4 (0.52) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL3343867 0.82 CDK4 (0.52) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL3339257 0.82 CDK4 (0.52) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL3339634 0.82 CDK4 (0.66) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL3336744 0.81 CDK4 (0.53) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL3340326 0.81 MEN1 (0.51) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL3338824 0.80 CDK4 (0.71) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4218296 0.80 PIK3CA (0.48) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4218445 0.80 PIK3CA (0.51) CDK4CCND1CCND2CCND3CCNA2

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 16 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-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 US claimed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US claimed
EP-1931670-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K Exelixis, Inc. (US) 2008-06-18 EP claimed
WO-2007044698-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα EXELIXIS, INC. (US) 2007-04-19 WO claimed
EP-2142543-B1 PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-05-22 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-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
EP-1931670-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K Exelixis, Inc. (US) 2008-06-18 EP disclosed
WO-2007044698-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα EXELIXIS, INC. (US) 2007-04-19 WO disclosed
WO-2007044698-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα EXELIXIS, INC. (US) 2007-04-19 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-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.