SCHEMBL4881049

SCHEMBL4881049

CC(C)(C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)NC(=O)c1ccc(Cl)cc1N2

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.71
IKBKB O14920 1/20 0.71
DGAT1 O75907 1/20 0.51
CHEK2 O96017 1/20 0.51
KIT P10721 1/20 0.51
MARK3 P27448 1/20 0.51
MAPK1 P28482 1/20 0.51
AKT1 P31749 1/20 0.51
MARK2 Q7KZI7 1/20 0.51
AURKB Q96GD4 1/20 0.51
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.44
CSF1R P07333 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL5450351 0.87 CHEK1 (0.63) CHEK1IKBKBDGAT1CHEK2KIT
SCHEMBL4882434 0.87 CHEK1 (0.84) CHEK1IKBKBDGAT1CHEK2KIT
SCHEMBL4853670 0.85 CHEK1 (0.68) CHEK1IKBKBDGAT1CHEK2KIT
SCHEMBL4891936 0.85 CHEK1 (0.65) CHEK1IKBKBDGAT1CHEK2KIT
SCHEMBL4849487 0.84 CHEK1 (0.64) CHEK1IKBKBDGAT1CHEK2KIT
SCHEMBL4886321 0.83 CHEK1 (0.63) CHEK1IKBKBDGAT1CHEK2KIT
SCHEMBL4889204 0.83 CHEK1 (0.80) CHEK1IKBKBCHEK2KITMARK3
SCHEMBL4883979 0.82 CHEK1 (0.61) CHEK1IKBKBDGAT1CHEK2KIT
SCHEMBL4880052 0.81 CHEK1 (1.00) CHEK1IKBKBCHEK2KITMARK3
SCHEMBL4889329 0.81 CHEK1 (0.66) CHEK1IKBKBDGAT1CHEK2KIT

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 421/4885DGAT1 2553/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885IKBKB 358/4885DGAT1 2853/4885

“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.