SCHEMBL4859025

SCHEMBL4859025

CC(C)(C(=O)N1CCC[C@@H]1CO)c1ccc2c(c1)NC(=O)c1ccc(Nc3cc(F)nc(F)c3)cc1N2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.48
IKBKB O14920 1/20 0.39
ABL1 P00519 2/20 0.34
RORC P51449 1/20 0.34
BCL6 P41182 2/20 0.33
EPHX2 P34913 1/20 0.33
TYK2 P29597 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL4852325 1.00 CHEK1 (0.48) CHEK1IKBKBABL1RORCBCL6
SCHEMBL4857733 0.84 CHEK1 (0.47) CHEK1IKBKBTLR9TLR8TLR7
SCHEMBL4855365 0.83 CHEK1 (0.49) CHEK1IKBKB
SCHEMBL4858889 0.81 CHEK1 (0.50) CHEK1IKBKBABL1
SCHEMBL4847679 0.80 CHEK1 (0.58) CHEK1IKBKB
SCHEMBL4859764 0.79 CHEK1 (0.56) CHEK1IKBKB
SCHEMBL4855701 0.78 CHEK1 (0.60) CHEK1IKBKBABL1
SCHEMBL4852366 0.78 CHEK1 (0.56) CHEK1IKBKB
SCHEMBL4859700 0.76 CHEK1 (0.62) CHEK1IKBKB
SCHEMBL6397211 0.75 CHEK1 (0.55) CHEK1IKBKB

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 9 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 claimed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US claimed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US claimed
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
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO 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 421/4885ABL1 45/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885IKBKB 358/4885ABL1 32/4885

“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.