Sugi Predict

Sugi Predict / Compounds / SCHEMBL4849596

SCHEMBL4849596

SCHEMBL4849596

COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)O)cc2NC3=O)ccc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.66
▸ CHEK2 O96017 2/20 0.51
▸ AURKB Q96GD4 2/20 0.51
▸ KIT P10721 1/20 0.51
▸ MARK3 P27448 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ AKT1 P31749 1/20 0.51
▸ MARK2 Q7KZI7 1/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ RPS6KA5 O75582 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ AKT2 P31751 1/20 0.51
▸ MAPKAPK2 P49137 1/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ GSK3A P49840 1/20 0.51

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
SCHEMBL4858765 0.90 CHEK1 (0.69) CHEK1CHEK2AURKBMARK3AKT1
SCHEMBL4854940 0.89 CHEK1 (0.67) CHEK1CHEK2AURKBKITMARK3
SCHEMBL4852852 0.88 CHEK1 (0.72) CHEK1CHEK2AURKBKITMARK3
SCHEMBL4858793 0.87 CHEK1 (0.72) CHEK1CHEK2AURKBKITMARK3
SCHEMBL4852284 0.87 CHEK1 (0.66) CHEK1CHEK2AURKBKITMARK3
SCHEMBL4856990 0.86 CHEK1 (0.62) CHEK1ROCK2MAP4K4CDK2GSK3B
SCHEMBL4851811 0.86 CHEK1 (0.69) CHEK1CHEK2AURKBKITMARK3
SCHEMBL4859952 0.85 CHEK1 (0.82) CHEK1
SCHEMBL4849467 0.85 CHEK1 (0.82) CHEK1
SCHEMBL4849489 0.85 CHEK1 (0.82) 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 8 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 claimed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 — — US claimed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 — — EP claimed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 — — US claimed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 — — WO 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
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 46/4885CHEK2 28/4885AURKB 196/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CHEK2 19/4885AURKB 165/4885

“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.