SCHEMBL4854884

SCHEMBL4854884

COc1cc(-c2ccc3c(c2)Nc2ccc(CCO)cc2NC3=O)ccc1Cn1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.50
AURKA O14965 2/20 0.46
PDPK1 O15530 1/20 0.46
JAK2 O60674 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK8 P45983 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL4854137 0.90 CHEK1 (0.54) CHEK1AURKAPDPK1JAK2RPS6KB1
SCHEMBL4856996 0.85 CHEK1 (0.48) CHEK1AURKAPDPK1JAK2RPS6KB1
SCHEMBL4857358 0.85 CHEK1 (0.47) CHEK1AURKAPDPK1JAK2RPS6KB1
SCHEMBL4855907 0.84 CHEK1 (0.51) CHEK1AURKAKDRAURKB
SCHEMBL4857785 0.83 CHEK1 (0.51) CHEK1AURKAPDPK1JAK2RPS6KB1
SCHEMBL4849682 0.82 CHEK1 (0.73) CHEK1AURKAPDPK1JAK2RPS6KB1
SCHEMBL4855590 0.79 CHEK1 (0.64) CHEK1AURKAPDPK1JAK2RPS6KB1
SCHEMBL4856845 0.78 CHEK1 (0.70) CHEK1AURKAPDPK1RPS6KB1CDK2
SCHEMBL4857477 0.76 CHEK1 (0.74) CHEK1AURKAKDRAURKB
SCHEMBL4855403 0.75 CHEK1 (0.54) CHEK1AURKB

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 38/4885AURKA 268/4885PDPK1 118/4885

“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.