SCHEMBL21187346

SCHEMBL21187346

c1cnc(O[C@H]2CC[C@@H](Oc3cc(N4CCOCC4)cc4ncncc34)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
PRKDC P78527 13/20 0.38
PDE10A Q9Y233 1/20 0.36
KCNH2 Q12809 3/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 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
SCHEMBL30823309 1.00 CCNC (0.40) CCNCCDK8PRKDCPDE10AKCNH2
SCHEMBL21177944 1.00 CCNC (0.40) CCNCCDK8PRKDCPDE10AKCNH2
SCHEMBL21187404 1.00 CCNC (0.40) CCNCCDK8PRKDCPDE10AKCNH2
SCHEMBL21187258 0.87 SYK (0.43) CCNCCDK8PRKDCPDE10AKCNH2
SCHEMBL21187297 0.87 PRKDC (0.44) CCNCCDK8PRKDCPDE10AKCNH2
SCHEMBL21177847 0.87 SYK (0.43) CCNCCDK8PRKDCPDE10AKCNH2
SCHEMBL30823305 0.87 SYK (0.43) CCNCCDK8PRKDCPDE10AKCNH2
Hydrochloric Acid SCHEMBL29191335 0.86 PRKDC (0.44) CCNCCDK8PRKDCPDE10AKCNH2
Hydrochloric Acid SCHEMBL30823284 0.86 PRKDC (0.44) CCNCCDK8PRKDCPDE10AKCNH2
SCHEMBL22651998 0.84 PRKDC (0.38) CCNCCDK8PRKDCPDE10AKCNH2

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 CCNC 578/4885CDK8 123/4885PRKDC 34/4885

“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.