SCHEMBL138096

SCHEMBL138096

CNc1nc2c(C)cc(Br)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.37
USP30 Q70CQ3 1/20 0.35
BRD4 O60885 1/20 0.33
NR1H2 P55055 5/20 0.33
AAK1 Q2M2I8 3/20 0.33
LMNA P02545 1/20 0.32
RORC P51449 1/20 0.32
SCN9A Q15858 1/20 0.32
NQO2 P16083 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CCNB3 Q8WWL7 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
SCHEMBL29522544 1.00 LCK (0.37) LCKUSP30BRD4NR1H2AAK1
SCHEMBL855565 0.85 LCK (0.37) LCKUSP30BRD4NR1H2AAK1
SCHEMBL153122 0.82 NQO2 (0.36) RORCNQO2
SCHEMBL2674793 0.70 L3MBTL1 (0.47) NR1H2LMNA
SCHEMBL21301519 0.70 NQO2 (0.33) RORCNQO2
SCHEMBL30847402 0.67 USP30 (0.39) USP30NR1H2CCNB2CDK1CCNB1
SCHEMBL12158 0.67 USP30 (0.39) USP30NR1H2CCNB2CDK1CCNB1
SCHEMBL23245435 0.66 USP30 (0.45) USP30NR1H2CCNB2CDK1CCNB1
SCHEMBL30200409 0.66 USP30 (0.45) USP30NR1H2CCNB2CDK1CCNB1
SCHEMBL29762646 0.66 AAK1 (0.38) AAK1LMNAGABRG2GABRB3GABRA5

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660020-B1 PROCESS FOR THE SYNTHESIS OF MTOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2023-07-05 EP disclosed
EP-3660020-B1 PROCESS FOR THE SYNTHESIS OF MTOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2023-07-05 EP disclosed
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-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
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
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
US-10683298-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2020-06-16 US disclosed
US-10683298-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2020-06-16 US disclosed
US-8110578-B2 Pyrazino[2,3-b]pyrazine mTOR kinase inhibitors for oncology indications and diseases associated with the mTOR/PI3K/Akt pathway SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-07 US disclosed
EP-2358718-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY Signal Pharmaceuticals, LLC (US) 2011-08-24 EP disclosed
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-06-09 US disclosed
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-06-09 US disclosed
WO-2011053518-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2011-05-05 WO disclosed
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC 2010-08-26 US disclosed
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC 2010-08-26 US disclosed
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC 2010-08-26 US disclosed
WO-2010062571-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC (US) 2010-06-03 WO disclosed
WO-2010062571-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC (US) 2010-06-03 WO 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 (6 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-10683298-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors MTOR, RICTOR, PDK1 LCK 210/4885USP30 4358/4885BRD4 536/4885
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 LCK 433/4885USP30 2795/4885BRD4 1102/4885
US-11292796-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors MTOR, RICTOR, RPTOR LCK 128/4885USP30 3623/4885BRD4 383/4885
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 LCK 433/4885USP30 2795/4885BRD4 1102/4885
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR LCK 352/4885USP30 2350/4885BRD4 1227/4885
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL LCK 2244/4885USP30 2437/4885BRD4 150/4885

“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.