SCHEMBL136111

SCHEMBL136111

O=C1CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3)nc2N1C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.53
PIK3CA P42336 9/20 0.53
RPTOR Q8N122 7/20 0.53
MLST8 Q9BVC4 7/20 0.53
PIK3CD O00329 1/20 0.53
CSF1R P07333 1/20 0.53
FLT4 P35916 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
KCNH2 Q12809 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRL1 P41146 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAP3K11 Q16584 1/20 0.32

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
SCHEMBL154079 0.91 MTOR (0.66) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL155506 0.91 MTOR (0.66) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL15176850 0.91 MTOR (0.66) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL154078 0.91 MTOR (0.66) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL29522505 0.91 MTOR (0.66) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL137312 0.91 MTOR (0.65) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL29522021 0.91 MTOR (0.66) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL153133 0.89 MTOR (0.68) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL151592 0.89 MTOR (0.68) MTORPIK3CARPTORMLST8PIK3CD
SCHEMBL29522647 0.89 MTOR (0.68) MTORPIK3CARPTORMLST8PIK3CD

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 1/4885PIK3CA 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.