SCHEMBL4856064

SCHEMBL4856064

COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 1.00
CLK4 Q9HAZ1 3/20 0.57
PIM1 P11309 2/20 0.57
CDK8 P49336 2/20 0.57
CDK9 P50750 2/20 0.57
PRKX P51817 2/20 0.57
CDK5 Q00535 2/20 0.57
TAOK1 Q7L7X3 2/20 0.57
AURKB Q96GD4 2/20 0.57
DAPK3 O43293 1/20 0.57
PRKD3 O94806 1/20 0.57
ABL1 P00519 1/20 0.57
LTK P29376 1/20 0.57
MAPK8 P45983 1/20 0.57
LIMK1 P53667 1/20 0.57
ACVR1 Q04771 1/20 0.57
PTK2 Q05397 1/20 0.57
TYRO3 Q06418 1/20 0.57
MAP4K2 Q12851 1/20 0.57
DYRK1A Q13627 1/20 0.57

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
SCHEMBL4850645 0.87 CHEK1 (0.79) CHEK1PIM1CDK8CDK9PRKX
SCHEMBL4858358 0.85 CHEK1 (0.74) CHEK1CLK4PIM1CDK8CDK9
SCHEMBL4860069 0.84 CHEK1 (1.00) CHEK1CLK4PIM1CDK8CDK9
SCHEMBL4856845 0.83 CHEK1 (0.70) CHEK1PIM1CDK8CDK9PRKX
SCHEMBL4854940 0.81 CHEK1 (0.67) CHEK1PIM1CDK8CDK9PRKX
SCHEMBL4859458 0.81 CHEK1 (0.73) CHEK1PIM1CDK8CDK9PRKX
SCHEMBL4847822 0.81 CHEK1 (1.00) CHEK1CLK4PIM1CDK8CDK9
SCHEMBL4854812 0.81 CHEK1 (1.00) CHEK1CLK4PIM1CDK8CDK9
SCHEMBL4850874 0.81 CHEK1 (1.00) CHEK1CLK4PIM1CDK8CDK9
SCHEMBL16712579 0.80 CHEK1 (0.66) CHEK1PIM1CDK8CDK9PRKX

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 9 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
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP claimed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US claimed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO 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 701/4885PIM1 374/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CLK4 652/4885PIM1 464/4885

“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.