SCHEMBL4855460

SCHEMBL4855460

CC(C)(C(=O)O)c1ccc2c(c1)NC(=O)c1ccc(-c3cccc4cnccc34)cc1N2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.65
ROCK2 O75116 5/20 0.45
IRAK4 Q9NWZ3 5/20 0.45
GSK3B P49841 4/20 0.45
CDC7 O00311 3/20 0.45
MAP4K4 O95819 3/20 0.45
PRKACA P17612 3/20 0.45
CDK2 P24941 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
HIPK2 Q9H2X6 2/20 0.45
MKNK2 Q9HBH9 1/20 0.45
SLC22A12 Q96S37 2/20 0.42
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
SLK Q9H2G2 2/20 0.40
CSF1R P07333 1/20 0.40
GSK3A P49840 1/20 0.40
CDK5 Q00535 1/20 0.40
ROCK1 Q13464 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL4850740 0.90 CHEK1 (0.69) CHEK1ROCK2IRAK4GSK3BCDC7
SCHEMBL4857152 0.90 CHEK1 (0.69) CHEK1ROCK2IRAK4GSK3BCDC7
SCHEMBL4857937 0.87 CHEK1 (0.65) CHEK1ROCK2IRAK4GSK3BCDC7
SCHEMBL4855497 0.87 CHEK1 (0.65) CHEK1ROCK2IRAK4GSK3BCDC7
SCHEMBL4858725 0.81 CHEK1 (0.80) CHEK1ROCK2IRAK4GSK3BCDC7
SCHEMBL4855732 0.81 CHEK1 (0.65) CHEK1ROCK2IRAK4CDK2KDR
SCHEMBL4855156 0.79 CHEK1 (0.74) CHEK1ROCK2IRAK4GSK3BCDC7
SCHEMBL4857644 0.72 CHEK1 (0.58) CHEK1
SCHEMBL4856777 0.72 CHEK1 (0.63) CHEK1ROCK2IRAK4GSK3BCDC7
SCHEMBL4857482 0.72 CHEK1 (0.66) CHEK1ROCK2IRAK4GSK3BCDC7

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-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US claimed
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 38/4885ROCK2 483/4885IRAK4 1279/4885

“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.