SCHEMBL189211

SCHEMBL189211

CCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(NCCF)nc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.67
PIK3CD O00329 1/20 0.67
PIK3CB P42338 1/20 0.67
MTOR P42345 1/20 0.67
PIK3CG P48736 1/20 0.67
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
COMT P21964 1/20 0.37

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
SCHEMBL188666 0.90 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL188724 0.87 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL189553 0.87 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL4220966 0.85 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL4215756 0.82 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBMTORPIK3CG
Voxtalisib SCHEMBL189573 0.80 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1901964 0.79 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL3339232 0.77 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL188463 0.77 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL2632824 0.76 KDM4E (0.46) PIK3CAPIK3CDPIK3CBMTORPIK3CG

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322523-B1 Process for the preparation of Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS INC (US) 2019-01-02 EP claimed
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 US claimed
EP-1940839-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha EXELIXIS INC (US) 2013-07-31 EP claimed
US-20130172371-A1 Methods of Treating Cancer Using Pyridopyrimidinone Inhibitors of PI3K and mTOR in Combination with Autophagy Inhibitors EXELIXIS, INC (US) 2013-07-04 US claimed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US claimed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP claimed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP claimed
US-8044062-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors of phospatidylinositol 3-kinase alpha EXELIXIS, INC. (US) 2011-10-25 US claimed
EP-2322523-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha Exelixis, Inc. (US) 2011-05-18 EP claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US claimed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 US claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
EP-2322523-B1 Process for the preparation of Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS INC (US) 2019-01-02 EP disclosed
EP-2322523-B1 Process for the preparation of Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS INC (US) 2019-01-02 EP disclosed
US-8901137-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K and mTOR in combination with autophagy inhibitors EXELIXIS, INC. (US) 2014-12-02 US disclosed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 US disclosed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US disclosed
WO-2008124161-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS, INC. (US) 2008-10-16 WO disclosed
WO-2007044813-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 (6 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-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CA 1/4885PIK3CD 2/4885PIK3CB 9/4885
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CB 3/4885
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 PIK3CA 67/4885PIK3CD 75/4885PIK3CB 53/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CA 1/4885PIK3CD 2/4885PIK3CB 9/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CA 1/4885PIK3CD 2/4885PIK3CB 12/4885
US-20130172371-A1 Methods of Treating Cancer Using Pyridopyrimidinone Inhibitors of PI3K and mTOR in Combination with Autophagy Inhibitors MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CB 5/4885

“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.