SCHEMBL21177939

SCHEMBL21177939

Cc1ncc2c(OC3CCC(N4C(=O)c5ccccc5C4=O)CC3)cc(Br)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
AXL P30530 2/20 0.31
TYRO3 Q06418 2/20 0.31
MERTK Q12866 1/20 0.31
SYK P43405 1/20 0.31
SCD O00767 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
SCHEMBL30823280 1.00 L3MBTL1 (0.38) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL21187335 1.00 L3MBTL1 (0.38) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL21177900 0.83 DCLK1 (0.39) L3MBTL1ALDH1A1MAPK1SYK
SCHEMBL21187336 0.83 DCLK1 (0.39) L3MBTL1ALDH1A1MAPK1SYK
SCHEMBL30823307 0.83 DCLK1 (0.39) L3MBTL1ALDH1A1MAPK1SYK
SCHEMBL16040372 0.79 ALDH1A1 (0.37) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL30790686 0.79 ALDH1A1 (0.37) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL30790682 0.79 ALDH1A1 (0.37) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL16039398 0.79 ALDH1A1 (0.37) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL21187303 0.75 L3MBTL1 (0.34) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1

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 7 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
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-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 2056/4885ADRA1D 3777/4885ADRA1A 3666/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK L3MBTL1 2056/4885ADRA1D 3777/4885ADRA1A 3666/4885

“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.