SCHEMBL138438

SCHEMBL138438

O=C(CBr)Nc1ncc(Br)nc1Br

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.35
ATR Q13535 1/20 0.35
GRM5 P41594 1/20 0.33
TSHR P16473 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29522634 0.85 TDP1 (0.38) ATRGRM5
SCHEMBL19387669 0.85 NPSR1 (0.40) JAK3ATRHPGDALDH1A1
SCHEMBL148302 0.85 KDM4E (0.41) JAK3ATRHTTLMNAALDH1A1
SCHEMBL3655719 0.80 ATR (0.41) ATRGRM5HTTLMNA
SCHEMBL31696340 0.79 KDM4E (0.38) ATRGRM5POLBLMNAALDH1A1
SCHEMBL1122180 0.79 KDM4E (0.38) ATRGRM5POLBLMNAALDH1A1
SCHEMBL15117618 0.72 ATR (0.38) ATRGRM5TSHR
SCHEMBL15001195 0.72 ATR (0.35) ATRGRM5ALDH1A1
SCHEMBL2885204 0.71 MAPKAPK2 (0.41) ATR
SCHEMBL16467591 0.71 ATR (0.35) ATRGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193692-B2 Halogen substituted pyrazines as intermediates of mTOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2015-11-24 US claimed
US-20150051397-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARMACEUTICALS LLC 2015-02-19 US claimed
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-10683298-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2020-06-16 US disclosed
EP-3660020-A1 PROCESS FOR THE SYNTHESIS OF MTOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2020-06-03 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
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 (7 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-20150051397-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR JAK3 62/4885ATR 377/4885GRM5 1456/4885
US-10683298-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors MTOR, RICTOR, PDK1 JAK3 154/4885ATR 575/4885GRM5 1361/4885
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 JAK3 62/4885ATR 377/4885GRM5 1456/4885
US-11292796-B2 Substituted pyrazino[2,3-b]pyrazines as mTOR kinase inhibitors MTOR, RICTOR, RPTOR JAK3 109/4885ATR 429/4885GRM5 1087/4885
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 JAK3 62/4885ATR 377/4885GRM5 1456/4885
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR JAK3 105/4885ATR 337/4885GRM5 2785/4885
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL JAK3 2476/4885ATR 1318/4885GRM5 2172/4885

“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.