SCHEMBL4855604

SCHEMBL4855604

CC1(C)OB(c2ccc3c(c2)Nc2ccc(CC(=O)O)cc2NC3=O)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.46
LIPG Q9Y5X9 6/20 0.41
LPL P06858 5/20 0.39
HIF1A Q16665 1/20 0.38
CHEK2 O96017 1/20 0.38
KIT P10721 1/20 0.38
MARK3 P27448 1/20 0.38
MAPK1 P28482 1/20 0.38
AKT1 P31749 1/20 0.38
MARK2 Q7KZI7 1/20 0.38
AURKB Q96GD4 1/20 0.38
F2 P00734 1/20 0.38
F11 P03951 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 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
SCHEMBL4858753 0.87 CHEK1 (0.41) CHEK1LIPGLPLF11
SCHEMBL4856016 0.83 CHEK1 (0.49) CHEK1LIPGHIF1ACHEK2KIT
SCHEMBL4853578 0.80 ACVR1 (0.49) CHEK1LIPGLPLMARK3
SCHEMBL4857019 0.79 CHEK1 (0.53) CHEK1LIPGLPLCHEK2AURKB
SCHEMBL4856676 0.79 PDGFRB (0.40) CHEK1LIPGLPLCHEK2KIT
SCHEMBL4852354 0.78 CHEK1 (0.43) CHEK1CHEK2KITMARK3MAPK1
SCHEMBL4855119 0.77 CHEK1 (0.52) CHEK1HIF1ACHEK2AURKB
SCHEMBL4850599 0.77 CHEK1 (0.52) CHEK1HIF1ACHEK2AURKB
SCHEMBL4859199 0.77 CHEK1 (0.45) CHEK1HIF1ACHEK2AURKB
SCHEMBL4855296 0.77 CHEK1 (0.56) 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 46/4885LIPG 2157/4885LPL 4075/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885LIPG 1595/4885LPL 3517/4885

“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.