SCHEMBL4853578

SCHEMBL4853578

CC1(C)OB(c2ccc3c(c2)Nc2ccccc2NC3=O)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.49
LRRK2 Q5S007 2/20 0.49
FER P16591 2/20 0.49
PDGFRA P16234 1/20 0.49
LTK P29376 1/20 0.49
CDK8 P49336 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
CHEK1 O14757 10/20 0.46
IRAK4 Q9NWZ3 5/20 0.46
ROCK2 O75116 4/20 0.46
CDK2 P24941 3/20 0.46
GSK3B P49841 3/20 0.46
CDC7 O00311 2/20 0.46
MAP4K4 O95819 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
KDR P35968 2/20 0.46
PRKACA P17612 1/20 0.46
CSNK1G1 Q9HCP0 1/20 0.46
MKNK2 Q9HBH9 1/20 0.45
CDK5 Q00535 2/20 0.44

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
SCHEMBL4857019 0.85 CHEK1 (0.53) CDK8CHEK1ROCK2CDK2GSK3B
SCHEMBL17065904 0.84 LIPG (0.47) IRAK4LPLLIPGROCK1
SCHEMBL4858753 0.81 CHEK1 (0.41) CHEK1LPLLIPG
SCHEMBL4859199 0.81 CHEK1 (0.45) CDK8CHEK1ROCK2CDK2GSK3B
SCHEMBL4855604 0.80 CHEK1 (0.46) CHEK1LPLLIPGMARK3
SCHEMBL4855119 0.79 CHEK1 (0.52) CDK8CHEK1ROCK2CDK2GSK3B
SCHEMBL4850599 0.79 CHEK1 (0.52) CDK8CHEK1ROCK2CDK2GSK3B
SCHEMBL29909145 0.79 LPL (0.43) GSK3BLPLLIPGCSF1R
SCHEMBL3450261 0.79 LPL (0.43) GSK3BLPLLIPGCSF1R
SCHEMBL12077888 0.77 LPL (0.37) LPLLIPGCSF1RROCK1

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 4 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 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 ACVR1 1564/4885LRRK2 667/4885FER 364/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ACVR1 2283/4885LRRK2 684/4885FER 373/4885

“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.