SCHEMBL138993

SCHEMBL138993

CN1C(=O)CNc2ncc(-c3ccc(C(C)(C)O)nc3)nc21

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.73
PIK3CA P42336 11/20 0.73
RPTOR Q8N122 9/20 0.73
MLST8 Q9BVC4 9/20 0.73
CSF1R P07333 2/20 0.65
PIK3CD O00329 1/20 0.65
FLT4 P35916 1/20 0.65
PIK3CB P42338 1/20 0.65
PIK3CG P48736 1/20 0.65
KCNH2 Q12809 1/20 0.65
PIK3C3 Q8NEB9 1/20 0.65
PI4KB Q9UBF8 1/20 0.65
RICTOR Q6R327 2/20 0.49
MAPKAP1 Q9BPZ7 2/20 0.49
SYK P43405 3/20 0.45

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
SCHEMBL138962 0.84 MTOR (1.00) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL29522028 0.84 MTOR (1.00) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL137357 0.83 MTOR (0.85) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL138956 0.82 MTOR (0.84) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL29522552 0.82 MTOR (0.91) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL136214 0.82 MTOR (0.91) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL152929 0.81 MTOR (1.00) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL15001238 0.81 MTOR (1.00) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL29522061 0.81 MTOR (1.00) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL29391045 0.81 MTOR (1.00) MTORPIK3CARPTORMLST8CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059164-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY PERRIN-NINKOVIC SOPHIE (US) 2012-03-08 US disclosed
US-20120059164-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY PERRIN-NINKOVIC SOPHIE (US) 2012-03-08 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 (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-20120059164-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 6/4885RPTOR 3/4885

“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.