SCHEMBL628448

SCHEMBL628448

CC(C)Nc1cc(N2C3CCC2COC3)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.42
MTOR P42345 13/20 0.42
HRH4 Q9H3N8 3/20 0.39
MAP3K12 Q12852 1/20 0.37
PIK3CG P48736 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PIK3R1 P27986 3/20 0.34
RICTOR Q6R327 2/20 0.34
RPTOR Q8N122 2/20 0.34
MAPKAP1 Q9BPZ7 2/20 0.34
MLST8 Q9BVC4 2/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL628471 0.95 HRH4 (0.38) PIK3CAMTORHRH4MAP3K12PIK3CG
SCHEMBL628559 0.84 MTOR (0.51) PIK3CAMTORMAP3K12PIK3CGMEN1
SCHEMBL627955 0.84 MEN1 (0.47) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL629853 0.81 FYN (0.43) PIK3CAMTORMAP3K12PIK3CGPIK3R1
SCHEMBL7879527 0.81 MTOR (0.34) PIK3CAMTORHRH4MEN1KMT2A
SCHEMBL629250 0.80 PIK3CA (0.57) PIK3CAMTORPIK3CG
SCHEMBL628773 0.80 KMT2A (0.48) PIK3CAMTORMEN1KMT2AABCB1
SCHEMBL629451 0.79 PTGS2 (0.39) PIK3CAMTORMAP3K12PIK3CGATR
SCHEMBL629971 0.78 MTOR (0.47) PIK3CAMTORHRH4MAP3K12MEN1
SCHEMBL627861 0.77 PIK3CA (0.60) PIK3CAMTORPIK3CG

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
EP-2419432-B9 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2016-02-17 EP disclosed
US-8835429-B2 Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses WYETH LLC (US) 2014-09-16 US disclosed
US-8835429-B2 Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses WYETH LLC (US) 2014-09-16 US disclosed
US-8835429-B2 Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses WYETH LLC (US) 2014-09-16 US disclosed
EP-2419432-B1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2013-11-20 EP disclosed
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 US disclosed
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 US disclosed
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 US disclosed
EP-2419432-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2012-02-22 EP disclosed
WO-2010120998-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed
WO-2010120998-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 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-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885HRH4 3220/4885

“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.