SCHEMBL1899656

SCHEMBL1899656

Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CCCC1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.82
MTOR P42345 2/20 0.61

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
SCHEMBL8205591 0.99 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL1993484 0.97 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL14306580 0.95 PIK3CA (0.88) PIK3CAMTOR
SCHEMBL1983272 0.90 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL8212762 0.90 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL8214715 0.90 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL1983182 0.89 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL394539 0.89 PIK3CA (0.87) PIK3CAMTOR
SCHEMBL1982366 0.89 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL1982364 0.89 PIK3CA (1.00) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940839-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha EXELIXIS INC (US) 2013-07-31 EP claimed
US-20110237608-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS, INC. (US) 2011-09-29 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-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-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-20140296265-A1 Method of Treating Lymphoma Using Pyridopyrimidinone Inhibitors of PI3K/mTOR SANOFI (FR) 2014-10-02 US disclosed
US-20140296265-A1 Method of Treating Lymphoma Using Pyridopyrimidinone Inhibitors of PI3K/mTOR SANOFI (FR) 2014-10-02 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
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
WO-2008032162-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-03-20 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 2128/4885
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PIK3CA 3/4885MTOR 31/4885
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 2/4885
US-20140296265-A1 Method of Treating Lymphoma Using Pyridopyrimidinone Inhibitors of PI3K/mTOR MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885
US-20110237608-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885MTOR 53/4885

“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.