SCHEMBL394539

SCHEMBL394539

Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CCOCC1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.87
MTOR P42345 4/20 0.59
AKT1 P31749 1/20 0.52

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
Bromide SCHEMBL3729943 0.99 PIK3CA (0.85) PIK3CAMTORAKT1
SCHEMBL3328794 0.93 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL7919884 0.93 PIK3CA (1.00) PIK3CAMTOR
Bromide SCHEMBL392497 0.92 PIK3CA (0.98) PIK3CAMTOR
Bromide SCHEMBL392496 0.92 PIK3CA (0.98) PIK3CAMTOR
Bromide SCHEMBL3727618 0.92 PIK3CA (0.98) PIK3CAMTOR
SCHEMBL14306580 0.91 PIK3CA (0.88) PIK3CAMTOR
SCHEMBL1993484 0.89 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL1899656 0.89 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL8205591 0.88 PIK3CA (0.80) 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 7 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 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 3/4885AKT1 20/4885

“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.