SCHEMBL138213

SCHEMBL138213

Cc1cc(-c2nc[nH]n2)c(F)cc1-c1cnc2c(n1)N(C1CCCCC1)CC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.43
RPTOR Q8N122 6/20 0.43
MLST8 Q9BVC4 6/20 0.43
PIK3CA P42336 6/20 0.41

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
SCHEMBL29522118 0.92 MTOR (0.44) MTORRPTORMLST8PIK3CA
SCHEMBL137061 0.92 MTOR (0.44) MTORRPTORMLST8PIK3CA
SCHEMBL29522149 0.92 MTOR (0.44) MTORRPTORMLST8PIK3CA
SCHEMBL152644 0.92 MTOR (0.44) MTORRPTORMLST8PIK3CA
SCHEMBL138167 0.92 MTOR (0.50) MTORRPTORMLST8PIK3CA
SCHEMBL152643 0.92 MTOR (0.44) MTORRPTORMLST8PIK3CA
SCHEMBL156427 0.91 MTOR (0.54) MTORRPTORMLST8PIK3CA
SCHEMBL156434 0.91 MTOR (0.54) MTORRPTORMLST8PIK3CA
SCHEMBL156426 0.91 MTOR (0.54) MTORRPTORMLST8PIK3CA
SCHEMBL29522487 0.91 MTOR (0.54) MTORRPTORMLST8PIK3CA

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 1 patent. 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

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 1/4885RPTOR 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.