SCHEMBL4857644

SCHEMBL4857644

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.58
CES1 P23141 2/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
TGM2 P21980 2/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IKBKB O14920 1/20 0.39
PPOX P50336 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL4858764 0.90 CHEK1 (0.53) CHEK1CES1TGM2IDO1TDO2
SCHEMBL4847870 0.87 CHEK1 (0.50) CHEK1CES1IKBKB
SCHEMBL4857810 0.87 CHEK1 (0.50) CHEK1CES1IKBKB
SCHEMBL6273200 0.86 CHEK1 (0.49) CHEK1CES1TGM2IDO1TDO2
SCHEMBL4857064 0.86 CHEK1 (0.61) CHEK1CES1TGM2IDO1TDO2
SCHEMBL4852321 0.86 CHEK1 (0.61) CHEK1CES1TGM2IDO1TDO2
SCHEMBL4850794 0.84 CHEK1 (0.55) CHEK1CES1TGM2IDO1TDO2
SCHEMBL4855620 0.82 CHEK1 (0.58) CHEK1CES1TGM2IDO1TDO2
SCHEMBL4858805 0.82 CHEK1 (0.58) CHEK1CES1TGM2IDO1TDO2
SCHEMBL4857543 0.80 CHEK1 (0.60) CHEK1CES1TGM2PPOXCSNK1G1

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 1804/4885AKR1C3 2261/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CES1 2761/4885AKR1C3 3024/4885

“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.