SCHEMBL21177900

SCHEMBL21177900

Cc1ncc2c(OC3CCC(N4C(=O)c5ccccc5C4=O)CC3)cc(N3CCOCC3)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 1/20 0.39
MAPK7 Q13164 1/20 0.39
LRRK2 Q5S007 1/20 0.39
ACVR1 Q04771 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TTK P33981 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
TNK2 Q07912 1/20 0.36
ALDH1A1 P00352 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL21187336 1.00 DCLK1 (0.39) DCLK1MAPK7LRRK2ACVR1CCNB2
SCHEMBL30823307 1.00 DCLK1 (0.39) DCLK1MAPK7LRRK2ACVR1CCNB2
SCHEMBL21187331 0.86 MEN1 (0.38) DCLK1MAPK7LRRK2ALDH1A1IRAK4
SCHEMBL30823285 0.86 MEN1 (0.38) DCLK1MAPK7LRRK2ALDH1A1IRAK4
SCHEMBL21178069 0.86 MEN1 (0.38) DCLK1MAPK7LRRK2ALDH1A1IRAK4
SCHEMBL21177939 0.83 L3MBTL1 (0.38) L3MBTL1ALDH1A1MAPK1SYK
SCHEMBL30823280 0.83 L3MBTL1 (0.38) L3MBTL1ALDH1A1MAPK1SYK
SCHEMBL21187335 0.83 L3MBTL1 (0.38) L3MBTL1ALDH1A1MAPK1SYK
SCHEMBL21187359 0.82 ALDH1A1 (0.40) DCLK1MAPK7LRRK2L3MBTL1ALDH1A1
SCHEMBL28471532 0.82 ALDH1A1 (0.40) DCLK1MAPK7LRRK2L3MBTL1ALDH1A1

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
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
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 DCLK1 315/4885MAPK7 1285/4885LRRK2 1278/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK DCLK1 315/4885MAPK7 1285/4885LRRK2 1278/4885

“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.