SCHEMBL21187263

SCHEMBL21187263

Cc1ncc2c(O[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)CC3)cc(N3CCOCC3)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
JAK1 P23458 4/20 0.38
JAK2 O60674 2/20 0.38
BTK Q06187 1/20 0.38
TBK1 Q9UHD2 3/20 0.37
BRD4 O60885 1/20 0.37
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36

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
SCHEMBL21178132 1.00 CKS1B (0.39) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL21192335 0.83 JAK1 (0.38) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL21279209 0.83 CACNB4 (0.39) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL16079597 0.83 CACNB4 (0.39) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL21187339 0.82 MAP4K4 (0.38) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL21178721 0.82 CACNB4 (0.38) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL29191340 0.81 ERBB2 (0.37) TBK1ERBB2LRRK2
SCHEMBL21187299 0.80 SYK (0.44) TBK1
SCHEMBL21177898 0.80 SYK (0.44) TBK1
SCHEMBL30823316 0.80 SYK (0.44) TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 CKS1B 137/4885SKP1 468/4885SKP2 391/4885

“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.