SCHEMBL4856016

SCHEMBL4856016

COC(=O)CCc1ccc2c(c1)NC(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.49
LIPG Q9Y5X9 1/20 0.41
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
PTPN1 P18031 2/20 0.37
ROCK2 O75116 1/20 0.37
CSF1R P07333 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
ROCK1 Q13464 1/20 0.37
SLK Q9H2G2 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
SCHEMBL4858753 0.85 CHEK1 (0.41) CHEK1LIPG
SCHEMBL4855604 0.83 CHEK1 (0.46) CHEK1LIPGHIF1ACHEK2KIT
SCHEMBL4850566 0.80 CHEK1 (0.53) CHEK1PTPN1ROCK2CSF1RKDR
SCHEMBL4857458 0.80 CHEK1 (0.53) CHEK1PTPN1ROCK2CSF1RKDR
SCHEMBL30462910 0.78 LIPG (0.48) LIPGHIF1A
SCHEMBL19510783 0.78 LIPG (0.48) LIPGHIF1A
SCHEMBL4856676 0.78 PDGFRB (0.40) CHEK1LIPGCHEK2KITMARK3
SCHEMBL4850289 0.78 CHEK1 (0.45) CHEK1HIF1ACHEK2AURKBROCK2
SCHEMBL1525152 0.78 LIPG (0.58) LIPGHIF1A
SCHEMBL4853578 0.77 ACVR1 (0.49) CHEK1LIPGMARK3ROCK2CSF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2157/4885HIF1A 2539/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885LIPG 1595/4885HIF1A 3126/4885

“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.