SCHEMBL21179152

SCHEMBL21179152

COc1ccc(COc2cc(Br)cc3ncc(=O)n(C)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.46
CYP3A4 P08684 7/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP2C19 P33261 4/20 0.46
CLK4 Q9HAZ1 3/20 0.46
TSHR P16473 5/20 0.42
LRRK2 Q5S007 1/20 0.40
CYP2D6 P10635 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAPK1 P28482 2/20 0.39
USP2 O75604 4/20 0.39
CSF1R P07333 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL21178987 0.79 CYP1A2 (0.49) CYP1A2CYP3A4ALDH1A1CYP2C19CLK4
SCHEMBL21179008 0.77 CSF1R (0.41) LRRK2HDAC8CSF1RNPC1RAB9A
SCHEMBL21179116 0.76 ALOX5 (0.38) CYP1A2CYP3A4ALDH1A1CYP2C19CLK4
SCHEMBL21187309 0.76 KIT (0.44) ALDH1A1LRRK2HDAC8CSF1RHPGD
SCHEMBL30823299 0.74 PDE2A (0.43) ALDH1A1LRRK2HDAC8CSF1RHPGD
SCHEMBL21177909 0.74 PDE2A (0.43) ALDH1A1LRRK2HDAC8CSF1RHPGD
SCHEMBL27201498 0.73 NPC1 (0.47) LRRK2HDAC8CSF1RNPC1RAB9A
SCHEMBL21177865 0.72 IP6K1 (0.44) ALDH1A1LRRK2HDAC8CSF1RHPGD
SCHEMBL21178784 0.71 MAOB (0.45) LRRK2HDAC8CSF1RNPC1RAB9A
SCHEMBL21608846 0.70 PIK3R1 (0.51) CYP1A2CYP3A4ALDH1A1CYP2C19CLK4

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 10 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
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
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-3740483-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY 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
CN-111770921-A Quinoxalinone compounds, compositions, methods and kits for improving efficiency of genome editing 沃泰克斯药物股份有限公司 2020-10-13 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-2019143677-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY 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 (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-20200361877-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY XRCC6, LIG1, DCK CYP1A2 2175/4885CYP3A4 2257/4885ALDH1A1 2607/4885
US-12269804-B2 Quinoxalinone compounds, compositions, methods, and kits for increasing genome editing efficiency XRCC6, LIG1, DCK CYP1A2 2175/4885CYP3A4 2257/4885ALDH1A1 2607/4885

“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.