SCHEMBL21178677

SCHEMBL21178677

CC(C)(C)C(=O)OCn1cnc2cc(Br)cc(OC3CCC(N4C(=O)c5ccccc5C4=O)CC3)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.33
EIF4EBP1 Q13541 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 3/20 0.32
SLC2A1 P11166 1/20 0.32
MCL1 Q07820 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TSHR P16473 2/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL4033450 0.75 LMNA (0.37) LMNASLC2A1PDE4APDE4BPDE4C
SCHEMBL21187303 0.73 L3MBTL1 (0.34) L3MBTL1ALDH1A1LMNATSHR
SCHEMBL4032062 0.73 SLC2A1 (0.36) ALDH1A1LMNASLC2A1NPC1RAB9A
SCHEMBL4033828 0.73 SLC2A1 (0.45) ALDH1A1SLC2A1NPC1RAB9A
SCHEMBL21177886 0.73 LMNA (0.35) NPSR1EIF4EBP1LMNAMCL1
SCHEMBL4038428 0.72 RAF1 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL3280568 0.72 SRC (0.43) SLC2A1RAB9A
SCHEMBL16040372 0.71 ALDH1A1 (0.37) L3MBTL1ALDH1A1TSHR
SCHEMBL30790682 0.71 ALDH1A1 (0.37) L3MBTL1ALDH1A1TSHR
SCHEMBL30790686 0.71 ALDH1A1 (0.37) L3MBTL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 US disclosed
EP-3740480-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-03-06 EP disclosed
EP-3740480-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2020-11-25 EP 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-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 (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-20200353101-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK L3MBTL1 2056/4885NPSR1 4508/4885EIF4EBP1 1558/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK L3MBTL1 2056/4885NPSR1 4508/4885EIF4EBP1 1558/4885

“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.