SCHEMBL29521985

SCHEMBL29521985

O=C1CNc2ncc(-c3ccc4[nH]ccc4c3)nc2N1CCC1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 1.00
PIK3CA P42336 11/20 0.68
RPTOR Q8N122 7/20 0.68
MLST8 Q9BVC4 7/20 0.68
RICTOR Q6R327 1/20 0.46
MAPKAP1 Q9BPZ7 1/20 0.46

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
SCHEMBL138922 1.00 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522104 0.94 MTOR (0.88) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138560 0.94 MTOR (0.88) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29543545 0.89 MTOR (0.80) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138969 0.89 MTOR (0.80) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29521972 0.89 MTOR (0.80) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138501 0.89 MTOR (0.80) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29543307 0.85 MTOR (0.74) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138496 0.85 MTOR (0.74) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL137333 0.85 MTOR (0.73) 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 3 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-11292796-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2022-04-05 US disclosed
CN-106117213-B Heteroaryl compounds and methods for their synthesis and purification 西格诺药品有限公司 2022-03-18 CN 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-11292796-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 80/4885RPTOR 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.