SCHEMBL1900964

SCHEMBL1900964

Cc1nc(N)nc2c1cc(-c1ccn[nH]1)c(=O)n2C(C)C

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.69
PIK3CA P42336 11/20 0.69
PIK3CD O00329 1/20 0.69
PIK3CB P42338 1/20 0.69
PIK3CG P48736 1/20 0.69
AKT1 P31749 1/20 0.43

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
SCHEMBL188520 0.82 PIK3CA (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
Voxtalisib SCHEMBL189573 0.82 PIK3CA (1.00) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL188507 0.77 PIK3CA (0.63) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3329395 0.77 PIK3CA (1.00) MTORPIK3CA
SCHEMBL1382692 0.77 PIK3CA (1.00) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3723823 0.76 PIK3CA (0.76) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12458071 0.76 PIK3CA (0.64) MTORPIK3CA
SCHEMBL6128255 0.75 PIK3CA (0.57) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3329886 0.75 PIK3CA (0.66) MTORPIK3CA
SCHEMBL3729423 0.74 PIK3CA (0.71) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 43 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 disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 EP disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
EP-1940839-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha EXELIXIS INC (US) 2013-07-31 EP disclosed
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 EP disclosed
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-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
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
WO-2008127678-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed
WO-2008127678-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed
WO-2008124161-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS, INC. (US) 2008-10-16 WO disclosed
EP-1940839-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha Exelixis, Inc. (US) 2008-07-09 EP disclosed
WO-2007044813-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα EXELIXIS, INC. (US) 2007-04-19 WO disclosed
WO-2007044813-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 MTOR 50/4885PIK3CA 1/4885PIK3CD 2/4885

“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.