SCHEMBL4857592

SCHEMBL4857592

CC(C)(O)CCc1ccc2c(c1)NC(=O)c1ccc(Cl)cc1N2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.52
CES1 P23141 2/20 0.44
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TGM2 P21980 1/20 0.38
PPOX P50336 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.37
PTGES O14684 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL4852239 1.00 CHEK1 (0.52) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4849774 0.89 CHEK1 (0.53) CHEK1CES1TGM2PPOXCSNK1G1
SCHEMBL4848111 0.83 CHEK1 (0.58) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4847864 0.82 CHEK1 (0.48) CHEK1CES1TGM2PPOXCSNK1G1
SCHEMBL4856755 0.82 CHEK1 (0.51) CHEK1CES1TGM2PPOXCSNK1G1
SCHEMBL4858965 0.82 CHEK1 (0.60) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4854922 0.81 CHEK1 (0.56) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4857329 0.81 CHEK1 (0.56) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4854780 0.81 CHEK1 (0.65) CHEK1
SCHEMBL4851939 0.80 CHEK1 (0.55) CHEK1CES1TGM2IDO1TDO2

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 46/4885CES1 1804/4885MAOA 2117/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CES1 2761/4885MAOA 1994/4885

“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.