SCHEMBL22356809

SCHEMBL22356809

CC[C@@H]1C[C@@H]2C(=O)Nc3ncc(-c4ccc(-c5nnc[nH]5)cc4C)nc3N2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.41
PIK3CA P42336 6/20 0.41
RPTOR Q8N122 5/20 0.33
MLST8 Q9BVC4 5/20 0.33
CSF1R P07333 1/20 0.31
PRKDC P78527 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL800561 0.87 MTOR (0.39) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL15127357 0.87 MTOR (0.39) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL800560 0.87 MTOR (0.39) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL800454 0.87 MTOR (0.39) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL15127358 0.87 MTOR (0.39) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL800459 0.87 MTOR (0.39) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL136011 0.86 MTOR (0.42) MTORPIK3CARPTORMLST8
SCHEMBL138363 0.84 MTOR (0.39) MTORPIK3CARPTORMLST8
SCHEMBL138382 0.83 MTOR (0.41) MTORPIK3CARPTORMLST8
SCHEMBL137262 0.83 MTOR (0.41) MTORPIK3CARPTORMLST8

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-20230119470-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARM LLC (US) 2023-04-20 US disclosed
US-20200262840-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARM LLC (US) 2020-08-20 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 (2 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-20230119470-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 6/4885RPTOR 3/4885
US-20200262840-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS 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.