SCHEMBL4858358

SCHEMBL4858358

COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1Br

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.74
CLK4 Q9HAZ1 3/20 0.58
CDK5 Q00535 2/20 0.58
DAPK3 O43293 1/20 0.58
PRKD3 O94806 1/20 0.58
ABL1 P00519 1/20 0.58
PIM1 P11309 1/20 0.58
LTK P29376 1/20 0.58
MAPK8 P45983 1/20 0.58
CDK8 P49336 1/20 0.58
CDK9 P50750 1/20 0.58
PRKX P51817 1/20 0.58
LIMK1 P53667 1/20 0.58
ACVR1 Q04771 1/20 0.58
PTK2 Q05397 1/20 0.58
TYRO3 Q06418 1/20 0.58
MAP4K2 Q12851 1/20 0.58
DYRK1A Q13627 1/20 0.58
IKBKE Q14164 1/20 0.58
LRRK2 Q5S007 1/20 0.58

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
SCHEMBL4860069 0.85 CHEK1 (1.00) CHEK1CLK4CDK5DAPK3PRKD3
SCHEMBL4856064 0.85 CHEK1 (1.00) CHEK1CLK4CDK5DAPK3PRKD3
SCHEMBL4847822 0.82 CHEK1 (1.00) CHEK1CLK4CDK5DAPK3PRKD3
SCHEMBL4854812 0.82 CHEK1 (1.00) CHEK1CLK4CDK5DAPK3PRKD3
SCHEMBL4850874 0.82 CHEK1 (1.00) CHEK1CLK4CDK5DAPK3PRKD3
SCHEMBL4858978 0.81 CHEK1 (1.00) CHEK1CLK4CDK5DAPK3PRKD3
SCHEMBL4855466 0.81 CHEK1 (1.00) CHEK1CLK4CDK5DAPK3PRKD3
SCHEMBL4849127 0.81 CHEK1 (1.00) CHEK1
SCHEMBL4849596 0.81 CHEK1 (0.66) CHEK1CDK5PIM1CDK8CDK9
SCHEMBL4864705 0.77 CHEK1 (0.64) CHEK1CLK4CDK5ROCK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP claimed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US claimed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US claimed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CHEK1 46/4885CLK4 701/4885CDK5 110/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CLK4 652/4885CDK5 52/4885

“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.