SCHEMBL4850289

SCHEMBL4850289

COC(=O)C(C)(C)c1ccc2c(c1)Nc1cc(B3OC(C)(C)C(C)(C)O3)ccc1C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.45
IKBKB O14920 1/20 0.43
HIF1A Q16665 1/20 0.41
DGAT1 O75907 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ROCK2 O75116 2/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
CDK5 Q00535 2/20 0.37
CSF1R P07333 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
ROCK1 Q13464 1/20 0.37
SLK Q9H2G2 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
PDPK1 O15530 1/20 0.37
RPS6KA5 O75582 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
SCHEMBL4859199 0.84 CHEK1 (0.45) CHEK1IKBKBHIF1APRMT5WDR77
SCHEMBL4855119 0.82 CHEK1 (0.52) CHEK1IKBKBHIF1APRMT5WDR77
SCHEMBL4850599 0.82 CHEK1 (0.52) CHEK1IKBKBHIF1APRMT5WDR77
SCHEMBL4857810 0.80 CHEK1 (0.50) CHEK1IKBKBCNR1CNR2ROCK2
SCHEMBL4847870 0.80 CHEK1 (0.50) CHEK1IKBKBCNR1CNR2ROCK2
SCHEMBL4856016 0.78 CHEK1 (0.49) CHEK1HIF1AROCK2GSK3AGSK3B
SCHEMBL4853670 0.78 CHEK1 (0.68) CHEK1IKBKBDGAT1GSK3BCSF1R
SCHEMBL4853578 0.77 ACVR1 (0.49) CHEK1ROCK2GSK3AGSK3BCDK5
SCHEMBL10458 0.76 DGAT1 (0.53) HIF1ADGAT1CNR1CNR2
SCHEMBL4857019 0.76 CHEK1 (0.53) CHEK1PRMT5WDR77ROCK2GSK3A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885IKBKB 358/4885HIF1A 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.