SCHEMBL10328008

SCHEMBL10328008

CN(C)c1ncccc1-c1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.52
MTOR P42345 9/20 0.52
PIK3R1 P27986 8/20 0.52
PIK3CD O00329 3/20 0.46
PIK3CG P48736 2/20 0.46
MAP3K12 Q12852 1/20 0.45
AKT1 P31749 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
PIK3CB P42338 2/20 0.43
PIK3C2B O00750 1/20 0.42
AKR1C3 P42330 1/20 0.42
PRKDC P78527 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
PIK3R5 Q8WYR1 1/20 0.42
PI4KB Q9UBF8 1/20 0.42

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
SCHEMBL2817479 0.87 PIK3CA (0.55) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL10328137 0.84 PIK3CA (0.60) PIK3CAMTORPIK3R1MAP3K12
SCHEMBL10328141 0.83 PIK3CA (0.72) PIK3CAMTORPIK3R1PIK3CDMAP3K12
SCHEMBL10327872 0.82 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDMAP3K12
SCHEMBL2814051 0.81 PIK3CA (0.50) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL10327644 0.81 PIK3CA (0.60) PIK3CAMTORPIK3R1PIK3CDMAP3K12
SCHEMBL10328077 0.79 PIK3CA (0.56) PIK3CAMTORPIK3R1MAP3K12AKT1
SCHEMBL10327794 0.79 PIK3CA (0.63) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL10328007 0.79 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL14469032 0.78 PIK3CA (0.69) PIK3CAMTORPIK3R1PIK3CDMAP3K12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US 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 (2 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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885MTOR 62/4885PIK3R1 51/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885MTOR 57/4885PIK3R1 44/4885

“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.