SCHEMBL628557

SCHEMBL628557

Clc1cc(N2C3CCC2COC3)nc(I)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.39
MTOR P42345 7/20 0.39
MAP3K12 Q12852 2/20 0.36
ATR Q13535 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
PIK3CG P48736 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CB P42338 1/20 0.32
RICTOR Q6R327 1/20 0.32
RPTOR Q8N122 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
MAPKAP1 Q9BPZ7 1/20 0.32
MLST8 Q9BVC4 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL628089 0.84 PIK3CA (0.40) PIK3CAMTORMAP3K12ATRCYP1A2
SCHEMBL30364648 0.83 MTOR (0.47) PIK3CAMTORMAP3K12ATRPIK3CG
SCHEMBL20692825 0.83 MTOR (0.47) PIK3CAMTORMAP3K12ATRPIK3CG
SCHEMBL3724929 0.81 MAPT (0.53) PIK3CAMTORMAP3K12ATRCYP1A2
SCHEMBL7880345 0.75 PIK3CA (0.38) PIK3CAMTORMAP3K12ATRJAK2
SCHEMBL22723563 0.73 PIK3CA (0.40) PIK3CAMTORMAP3K12ATRPIK3CG
SCHEMBL629594 0.73 MTOR (0.40) PIK3CAMTORMAP3K12ATRPIK3CG
SCHEMBL9607534 0.71 MTOR (0.38) PIK3CAMTORMAP3K12ATRPIK3CG
SCHEMBL23436359 0.70 MTOR (0.36) PIK3CAMTORMAP3K12ATRPIK3CD
SCHEMBL20693010 0.70 CYP1A2 (0.54) PIK3CAMTORATRCYP1A2CYP2D6

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 12 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
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 1/4885MAP3K12 85/4885

“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.