SCHEMBL21177913

SCHEMBL21177913

CS(=O)(=O)O[C@H]1CC[C@H](Oc2ncccn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.35
OGA O60502 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2J2 P51589 2/20 0.33
CYP2C19 P33261 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
NAAA Q02083 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
LMNA P02545 1/20 0.31
PTGS1 P23219 2/20 0.31
LRRK2 Q5S007 2/20 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
SCHEMBL16042062 1.00 EPHX2 (0.35) EPHX2OGACYP2C9CYP2J2CYP2C19
SCHEMBL21178117 1.00 EPHX2 (0.35) EPHX2OGACYP2C9CYP2J2CYP2C19
SCHEMBL30823268 0.86 JAK2 (0.32) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL21192033 0.83 OGA (0.33) OGAHRH3CYP4F2CYP4A11NAAA
SCHEMBL28739277 0.81 EPHX2 (0.40) EPHX2OGACYP2C9CYP2J2CYP2C19
SCHEMBL21192296 0.81 GPR119 (0.37) OGAHRH3CYP4F2CYP4A11NAAA
SCHEMBL720580 0.80 GPR119 (0.38) OGAHRH3NAAAGPR119
SCHEMBL2333367 0.79 HCRTR2 (0.43) HRH3GPR119LMNA
SCHEMBL718466 0.77 CYP2D6 (0.51) CYP2C19PTGS2LMNA
SCHEMBL719101 0.76 EPHX2 (0.39) EPHX2OGACYP2C9CYP2J2CYP2C19

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12269804-B2 Quinoxalinone compounds, compositions, methods, and kits for increasing genome editing efficiency VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-08 US disclosed
WO-2025049254-A1 PYRAZOLOPYRIDINE BASED INHIBITORS OF DNA-DEPENDENT PROTEIN KINASE AND COMPOSITIONS AND APPLICATION IN GENE EDITING JUNO THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
US-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 US disclosed
CN-111770921-B Quinoxalinone compounds, compositions, methods and kits for improving genome editing efficiency 沃泰克斯药物股份有限公司 2024-03-22 CN disclosed
CN-111757876-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-03-22 CN disclosed
EP-3740480-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-03-06 EP disclosed
EP-3740483-B1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY VERTEX PHARMA (US) 2023-01-11 EP disclosed
EP-3740483-B1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY VERTEX PHARMA (US) 2023-01-11 EP disclosed
EP-3740480-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2020-11-25 EP disclosed
US-20200361877-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY VERTEX PHARMACEUTICALS INCORPORATED 2020-11-19 US disclosed
US-20200361877-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY VERTEX PHARMACEUTICALS INCORPORATED 2020-11-19 US disclosed
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US disclosed
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US disclosed
CN-111757876-A DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-10-09 CN disclosed
WO-2019143677-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 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 (4 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-20200361877-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY XRCC6, LIG1, DCK EPHX2 2825/4885OGA 694/4885CYP2C9 2374/4885
US-12269804-B2 Quinoxalinone compounds, compositions, methods, and kits for increasing genome editing efficiency XRCC6, LIG1, DCK EPHX2 2825/4885OGA 694/4885CYP2C9 2374/4885
US-20200353101-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK EPHX2 3667/4885OGA 1655/4885CYP2C9 2149/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK EPHX2 3667/4885OGA 1655/4885CYP2C9 2149/4885

“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.