SCHEMBL21177871

SCHEMBL21177871

COc1ncnc2cc(N3CCOCC3)cc(OC3CCC(N)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
IRAK4 Q9NWZ3 3/20 0.41
IRAK1 P51617 1/20 0.41
PDE10A Q9Y233 1/20 0.40
PRKDC P78527 7/20 0.39
TBK1 Q9UHD2 2/20 0.38
KCNH2 Q12809 1/20 0.38
SRC P12931 4/20 0.37
KDR P35968 4/20 0.37
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 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
SCHEMBL21187399 1.00 SYK (0.47) SYKIRAK4IRAK1PDE10APRKDC
SCHEMBL30823276 1.00 SYK (0.47) SYKIRAK4IRAK1PDE10APRKDC
SCHEMBL21187289 0.90 SRC (0.44) IRAK4PDE10APRKDCSRCKDR
SCHEMBL21178138 0.88 SYK (0.47) SYKIRAK4PDE10APRKDCTBK1
SCHEMBL30817825 0.88 SYK (0.47) SYKIRAK4PDE10APRKDCTBK1
SCHEMBL21187296 0.88 SYK (0.47) SYKIRAK4PDE10APRKDCTBK1
SCHEMBL21187330 0.83 TBK1 (0.43) SYKTBK1
SCHEMBL30823312 0.83 TBK1 (0.43) SYKTBK1
SCHEMBL21177888 0.83 TBK1 (0.43) SYKTBK1
SCHEMBL22651983 0.81 PIK3CD (0.40) PRKDCKCNH2SRCKDRRAF1

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 SYK 2655/4885IRAK4 1175/4885IRAK1 998/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK SYK 2655/4885IRAK4 1175/4885IRAK1 998/4885

“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.