SCHEMBL22651998

SCHEMBL22651998

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 8/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
PDE10A Q9Y233 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
LRRK2 Q5S007 1/20 0.37
KCNH2 Q12809 4/20 0.37
TBK1 Q9UHD2 2/20 0.35
ERBB2 P04626 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
SCHEMBL21187297 0.89 PRKDC (0.44) PRKDCIRAK4PDE10ACCNCCDK8
SCHEMBL21187301 0.87 PRKDC (0.35) PRKDCIRAK4PDE10ACCNCCDK8
SCHEMBL30823305 0.86 SYK (0.43) PRKDCIRAK4PDE10ACCNCCDK8
SCHEMBL21187258 0.86 SYK (0.43) PRKDCIRAK4PDE10ACCNCCDK8
SCHEMBL21177847 0.86 SYK (0.43) PRKDCIRAK4PDE10ACCNCCDK8
SCHEMBL21179454 0.86 ERBB2 (0.38) PRKDCCCNCCDK8KCNH2TBK1
SCHEMBL21179453 0.86 ERBB2 (0.38) PRKDCCCNCCDK8KCNH2TBK1
SCHEMBL21178261 0.85 ERBB2 (0.40) PRKDCIRAK4KCNH2ERBB2
SCHEMBL21187311 0.85 ERBB2 (0.40) PRKDCIRAK4KCNH2ERBB2
Hydrochloric Acid SCHEMBL30823284 0.85 PRKDC (0.44) PRKDCPDE10ACCNCCDK8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US 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 PRKDC 34/4885IRAK4 1175/4885PDE10A 1271/4885

“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.