SCHEMBL21187258

SCHEMBL21187258

N[C@H]1CC[C@@H](Oc2cc(N3CCOCC3)cc3ncncc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
PRKDC P78527 9/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
TBK1 Q9UHD2 4/20 0.39
PDE10A Q9Y233 1/20 0.37
KCNH2 Q12809 3/20 0.36
IRAK4 Q9NWZ3 2/20 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
SCHEMBL30823305 1.00 SYK (0.43) SYKPRKDCCCNCCDK8TBK1
SCHEMBL21177847 1.00 SYK (0.43) SYKPRKDCCCNCCDK8TBK1
SCHEMBL21187297 0.89 PRKDC (0.44) PRKDCCCNCCDK8PDE10AKCNH2
Hydrochloric Acid SCHEMBL30823284 0.88 PRKDC (0.44) PRKDCCCNCCDK8PDE10AKCNH2
Hydrochloric Acid SCHEMBL29191335 0.88 PRKDC (0.44) PRKDCCCNCCDK8PDE10AKCNH2
SCHEMBL21187346 0.87 CCNC (0.40) PRKDCCCNCCDK8TBK1PDE10A
SCHEMBL30823309 0.87 CCNC (0.40) PRKDCCCNCCDK8TBK1PDE10A
SCHEMBL21177944 0.87 CCNC (0.40) PRKDCCCNCCDK8TBK1PDE10A
SCHEMBL21187404 0.87 CCNC (0.40) PRKDCCCNCCDK8TBK1PDE10A
SCHEMBL28468198 0.87 PRKDC (0.42) PRKDCCCNCCDK8KCNH2

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 SYK 2655/4885PRKDC 34/4885CCNC 578/4885

“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.