SCHEMBL1896956

SCHEMBL1896956

CCn1c(=O)c(-c2ccc(C#N)s2)cc2c(C)nc(N)nc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.56
MTOR P42345 2/20 0.56
PIK3CD O00329 1/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
METAP2 P50579 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
SCHEMBL12676203 0.86 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13895692 0.84 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL6128307 0.82 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1897638 0.80 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16144854 0.79 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1898411 0.78 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL12457297 0.77 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1898472 0.75 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1897381 0.74 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1901238 0.74 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 45 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-20140302012-A1 Combination Therapies for Treating Hematologic Malignancies Using Pyridopyrimidinone Inhibitors of PI3K/mTOR with Bendamustine and/or Rituximab SANOFI (FR) 2014-10-09 US claimed
US-20140296265-A1 Method of Treating Lymphoma Using Pyridopyrimidinone Inhibitors of PI3K/mTOR SANOFI (FR) 2014-10-02 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-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-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 US 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-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-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-20140302012-A1 Combination Therapies for Treating Hematologic Malignancies Using Pyridopyrimidinone Inhibitors of PI3K/mTOR with Bendamustine and/or Rituximab SANOFI (FR) 2014-10-09 US disclosed
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC (US) 2010-06-17 US disclosed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 US disclosed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 US disclosed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 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 (5 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-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 PIK3CA 67/4885MTOR 2128/4885PIK3CD 75/4885
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER PIK3CA, CDKN1A, PIK3CD PIK3CA 1/4885MTOR 304/4885PIK3CD 3/4885
US-20140302012-A1 Combination Therapies for Treating Hematologic Malignancies Using Pyridopyrimidinone Inhibitors of PI3K/mTOR with Bendamustine and/or Rituximab BTK, MTOR, BCL6 PIK3CA 4/4885MTOR 2/4885PIK3CD 9/4885
US-20140296265-A1 Method of Treating Lymphoma Using Pyridopyrimidinone Inhibitors of PI3K/mTOR MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3CD 5/4885
US-20130172371-A1 Methods of Treating Cancer Using Pyridopyrimidinone Inhibitors of PI3K and mTOR in Combination with Autophagy Inhibitors MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3CD 3/4885

“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.