SCHEMBL800561

SCHEMBL800561

COC1C[C@@H]2C(=O)Nc3ncc(-c4ccc(-c5nnc[nH]5)cc4C)nc3N2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.39
RPTOR Q8N122 7/20 0.39
MLST8 Q9BVC4 7/20 0.39
PIK3CA P42336 7/20 0.38
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
PIK3CD O00329 2/20 0.30
PIK3CG P48736 2/20 0.30
CSF1R P07333 1/20 0.30
FLT4 P35916 1/20 0.30
PIK3CB P42338 1/20 0.30
KCNH2 Q12809 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL800459 1.00 MTOR (0.39) MTORRPTORMLST8PIK3CAHCRTR1
SCHEMBL15127358 1.00 MTOR (0.39) MTORRPTORMLST8PIK3CAHCRTR1
SCHEMBL800560 1.00 MTOR (0.39) MTORRPTORMLST8PIK3CAHCRTR1
SCHEMBL15127357 1.00 MTOR (0.39) MTORRPTORMLST8PIK3CAHCRTR1
SCHEMBL800454 1.00 MTOR (0.39) MTORRPTORMLST8PIK3CAHCRTR1
SCHEMBL22356809 0.87 MTOR (0.41) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL136011 0.84 MTOR (0.42) MTORRPTORMLST8PIK3CA
SCHEMBL138363 0.84 MTOR (0.39) MTORRPTORMLST8PIK3CA
SCHEMBL19663745 0.84 MTOR (0.37) MTORRPTORMLST8PIK3CAPIK3CD
SCHEMBL137262 0.83 MTOR (0.41) MTORRPTORMLST8PIK3CAPIK3CG

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 1/4885RPTOR 3/4885MLST8 78/4885

“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.