SCHEMBL13439726

SCHEMBL13439726

Bc1cc2c(C)nc(N)nc2n(C2CCCC2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.64
MTOR P42345 4/20 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
SCHEMBL12599433 0.87 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL1899656 0.85 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL12599143 0.84 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL8205591 0.84 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL13439633 0.82 PIK3CA (0.64) PIK3CAMTOR
SCHEMBL1993484 0.82 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL13439882 0.82 PIK3CA (0.61) PIK3CAMTOR
SCHEMBL12599902 0.81 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL13439636 0.80 PIK3CA (0.43) PIK3CAMTOR
SCHEMBL15580698 0.80 PIK3CA (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 US disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 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-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PIK3CA 3/4885MTOR 31/4885

“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.