SCHEMBL394242

SCHEMBL394242

Cc1nc(N)nc2c1cc(-c1ccc(N)nc1)c(=O)n2C1CCCOC1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.72
MTOR P42345 5/20 0.72

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
SCHEMBL394481 1.00 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL7914957 0.94 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL396272 0.94 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL391472 0.94 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL396260 0.90 PIK3CA (0.90) PIK3CAMTOR
SCHEMBL395854 0.90 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL395045 0.90 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL394343 0.89 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL8210463 0.84 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL3725543 0.84 PIK3CA (0.59) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101622-B2 Pyridopyrimidinone inhibitors of PI3Kα and mTOR EXELIXIS, INC. (US) 2012-01-24 US claimed
EP-2350070-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K AND MTOR Exelixis, Inc. (US) 2011-08-03 EP claimed
US-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR EXELIXIS, INC. (US) 2010-04-08 US claimed
WO-2010039740-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα AND MTOR EXELIXIS, INC. (US) 2010-04-08 WO claimed
US-8101622-B2 Pyridopyrimidinone inhibitors of PI3Kα and mTOR EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-8101622-B2 Pyridopyrimidinone inhibitors of PI3Kα and mTOR EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-8101622-B2 Pyridopyrimidinone inhibitors of PI3Kα and mTOR EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR EXELIXIS, INC. (US) 2010-04-08 US disclosed
US-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR EXELIXIS, INC. (US) 2010-04-08 US disclosed
US-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR EXELIXIS, INC. (US) 2010-04-08 US disclosed
WO-2010039740-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα AND MTOR EXELIXIS, INC. (US) 2010-04-08 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-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR PIK3CD, PIK3CA, MTOR PIK3CA 2/4885MTOR 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.