SCHEMBL4857313

SCHEMBL4857313

CC(C)(COc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)NC(=O)c1ccc(Cl)cc1N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.52
IKBKB O14920 1/20 0.48
PDPK1 O15530 3/20 0.47
JAK2 O60674 2/20 0.47
MAPK8 P45983 2/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
PLK3 Q9H4B4 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
MARK3 P27448 2/20 0.46
MARK2 Q7KZI7 2/20 0.46
AURKB Q96GD4 2/20 0.46
EGFR P00533 1/20 0.46
GSK3B P49841 1/20 0.46
FLT3 P36888 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42

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
SCHEMBL4857057 0.83 CHEK1 (0.44) CHEK1FLT3PSEN1PSEN2APH1B
SCHEMBL4850676 0.82 CHEK1 (0.75) CHEK1PDPK1JAK2MAPK8AURKA
SCHEMBL4852192 0.81 CHEK1 (0.77) CHEK1IKBKBPDPK1JAK2MAPK8
SCHEMBL4857624 0.81 CHEK1 (0.60) CHEK1IKBKBPDPK1JAK2MAPK8
SCHEMBL4858977 0.80 CHEK1 (0.51) CHEK1PDPK1RPS6KB1CDK2PLK3
SCHEMBL4881049 0.78 CHEK1 (0.71) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4856869 0.77 CHEK1 (0.57) CHEK1IKBKBPDPK1JAK2MAPK8
SCHEMBL4856878 0.74 CHEK1 (0.48) CHEK1PDPK1CDK2IRAK4MARK3
SCHEMBL6283148 0.73 CHEK1 (0.59) CHEK1IKBKBPDPK1JAK2MAPK8
SCHEMBL4855620 0.73 CHEK1 (0.58) CHEK1

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 CHEK1 46/4885IKBKB 421/4885PDPK1 117/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885IKBKB 358/4885PDPK1 118/4885

“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.