SCHEMBL21177803

SCHEMBL21177803

Cc1nccc([C@H]2CC[C@H](Oc3cc(N4CCOCC4)cc4ncncc34)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PIK3R2 O00459 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
SYK P43405 1/20 0.36
TBK1 Q9UHD2 3/20 0.35
MAP4K4 O95819 1/20 0.35
KCNH2 Q12809 5/20 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
SCHEMBL30823301 1.00 PRKDC (0.39) PRKDCCCNCCDK8PIK3R2IRAK4
SCHEMBL30823283 1.00 PRKDC (0.39) PRKDCCCNCCDK8PIK3R2IRAK4
SCHEMBL21177801 1.00 PRKDC (0.39) PRKDCCCNCCDK8PIK3R2IRAK4
SCHEMBL21187363 1.00 PRKDC (0.39) PRKDCCCNCCDK8PIK3R2IRAK4
SCHEMBL22652141 0.88 CCNC (0.36) PRKDCCCNCCDK8SYKTBK1
SCHEMBL21187357 0.85 IRAK4 (0.38) PRKDCCCNCCDK8IRAK4SYK
SCHEMBL22635848 0.85 IRAK4 (0.38) PRKDCCCNCCDK8IRAK4SYK
SCHEMBL21187297 0.82 PRKDC (0.44) PRKDCCCNCCDK8IRAK4KCNH2
SCHEMBL21177944 0.80 CCNC (0.40) PRKDCCCNCCDK8IRAK4TBK1
SCHEMBL21187346 0.80 CCNC (0.40) PRKDCCCNCCDK8IRAK4TBK1

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 9 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
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
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 PRKDC 34/4885CCNC 578/4885CDK8 123/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 34/4885CCNC 578/4885CDK8 123/4885

“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.