SCHEMBL21187290

SCHEMBL21187290

Clc1nccc(N[C@H]2CC[C@@H](Oc3cc(N4CCOCC4)cc4ncncc34)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CCNT1 O60563 1/20 0.37
TBK1 Q9UHD2 6/20 0.36
IKBKE Q14164 3/20 0.36
IRAK4 Q9NWZ3 4/20 0.36
KCNH2 Q12809 2/20 0.35
PRKDC P78527 1/20 0.35
SYK P43405 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CDK4 P11802 1/20 0.34
GSK3B P49841 1/20 0.34
PRKD1 Q15139 1/20 0.34
TTK P33981 1/20 0.34
INSR P06213 1/20 0.34
ALK Q9UM73 1/20 0.34

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
SCHEMBL21178253 1.00 CCNC (0.37) CCNCCDK8CCNT1TBK1IKBKE
SCHEMBL21187357 0.90 IRAK4 (0.38) CCNCCDK8TBK1IKBKEIRAK4
SCHEMBL22635848 0.90 IRAK4 (0.38) CCNCCDK8TBK1IKBKEIRAK4
SCHEMBL21179460 0.86 TBK1 (0.39) CCNCCDK8TBK1IKBKEIRAK4
SCHEMBL21187294 0.86 TBK1 (0.39) CCNCCDK8TBK1IKBKEIRAK4
SCHEMBL16135295 0.84 IKBKE (0.38) CCNT1TBK1IKBKEKCNH2SYK
SCHEMBL16114949 0.84 IKBKE (0.38) CCNT1TBK1IKBKEKCNH2SYK
SCHEMBL21177941 0.82 TBK1 (0.39) CCNCCDK8TBK1IKBKEIRAK4
SCHEMBL21177940 0.82 TBK1 (0.39) CCNCCDK8TBK1IKBKEIRAK4
SCHEMBL22651998 0.81 PRKDC (0.38) CCNCCDK8TBK1IRAK4KCNH2

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 123/4885CCNT1 917/4885

“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.