SCHEMBL136009

SCHEMBL136009

CCCN1CC(=O)Nc2ncc(-c3ccc(-c4nnc[nH]4)cc3C)nc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.56
PIK3CA P42336 11/20 0.56
RPTOR Q8N122 11/20 0.47
MLST8 Q9BVC4 11/20 0.47
RICTOR Q6R327 2/20 0.41
MAPKAP1 Q9BPZ7 2/20 0.41
CSF1R P07333 2/20 0.38
PRKDC P78527 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
PRF1 P14222 1/20 0.31

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
SCHEMBL137266 0.86 MTOR (0.77) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL136050 0.80 MTOR (0.52) MTORPIK3CARPTORMLST8RICTOR
Hydrochloric Acid SCHEMBL152634 0.80 MTOR (0.51) MTORPIK3CARPTORMLST8RICTOR
Hydrochloric Acid SCHEMBL29522142 0.80 MTOR (0.51) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138649 0.79 MTOR (0.40) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL137263 0.79 MTOR (0.64) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138627 0.78 MTOR (0.72) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522186 0.78 MTOR (0.72) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138630 0.78 MTOR (0.57) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522479 0.78 MTOR (0.57) MTORPIK3CARPTORMLST8RICTOR

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.