SCHEMBL5922015

SCHEMBL5922015

CC(C)c1nc2c(s1)Cc1ccccc1N=C2N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
LTK P29376 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
LIMK1 P53667 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ADORA1 P30542 7/20 0.40
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
FBP1 P09467 2/20 0.32

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
SCHEMBL26812988 0.77 CHEK1 (0.59) CHEK1DAPK3LTKMAPK8CSNK1A1
SCHEMBL5563767 0.70 LMNA (0.36) TLR8TLR7
Hydrochloric Acid SCHEMBL4845848 0.69 GAA (0.36) TLR8TLR7
SCHEMBL5741820 0.69 AHR (0.41) CHEK1DAPK3LTKMAPK8CSNK1A1
SCHEMBL10052160 0.67 ADORA1 (0.59) CHEK1DAPK3LTKMAPK8CSNK1A1
SCHEMBL7380800 0.66 NOS2 (0.42) CHEK1DAPK3LTKMAPK8CSNK1A1
SCHEMBL13523266 0.65 ADORA1 (0.49) CHEK1DAPK3LTKMAPK8CSNK1A1
SCHEMBL1101901 0.64 HRH4 (0.40) NOS3NOS1NOS2SIGMAR1HRH4
SCHEMBL3626217 0.62 NOS3 (0.52) NOS3NOS1NOS2SIGMAR1HRH4
SCHEMBL14148612 0.62 TLR8 (0.45) CSNK1A1CLK4ADORA1TLR8TLR7

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-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines ELI LILLY AND COMPANY 2006-11-30 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-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines HRH4, HRH2, HRH3 CHEK1 2435/4885DAPK3 3917/4885LTK 2498/4885

“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.