SCHEMBL800580

SCHEMBL800580

COC1CCC(CN2C(=O)CNc3ncc(-c4ccc(-c5nc[nH]n5)nc4)nc32)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.70
PIK3CA P42336 13/20 0.70
RPTOR Q8N122 12/20 0.58
MLST8 Q9BVC4 12/20 0.58
CSF1R P07333 2/20 0.50
PIK3CD O00329 1/20 0.50
FLT4 P35916 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
KCNH2 Q12809 1/20 0.50
PIK3C3 Q8NEB9 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
PRKDC P78527 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL151509 1.00 MTOR (0.70) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL29521594 1.00 MTOR (0.70) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL151508 1.00 MTOR (0.70) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL155581 1.00 MTOR (0.70) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL29522263 1.00 MTOR (0.70) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL157283 0.90 MTOR (0.57) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL155824 0.90 MTOR (0.57) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL17471049 0.90 MTOR (0.57) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL155823 0.90 MTOR (0.57) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL29522275 0.90 MTOR (0.57) 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-20120071658-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) 2012-03-22 US disclosed
US-20120071658-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) 2012-03-22 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-20120071658-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.