Sugi Predict

Sugi Predict / Compounds / SCHEMBL4858810

SCHEMBL4858810

SCHEMBL4858810

COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)NCCCCN(C)C)cc2NC3=O)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.72
▸ DAPK3 O43293 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ PAK4 O96013 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LCK P06239 1/20 0.57
▸ RET P07949 1/20 0.57
▸ MET P08581 1/20 0.57
▸ PDGFRB P09619 1/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ PDGFRA P16234 1/20 0.57
▸ FLT1 P17948 1/20 0.57
▸ LTK P29376 1/20 0.57
▸ KDR P35968 1/20 0.57
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ GSK3A P49840 1/20 0.57
▸ CDK9 P50750 1/20 0.57
▸ PRKX P51817 1/20 0.57

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
SCHEMBL4857270 0.98 CHEK1 (0.73) CHEK1DAPK3PRKD3MAP4K4PAK4
SCHEMBL5431172 0.95 CHEK1 (0.75) CHEK1
SCHEMBL4854894 0.92 CHEK1 (0.70) CHEK1
SCHEMBL4855421 0.91 CHEK1 (0.71) CHEK1
SCHEMBL4855727 0.90 CHEK1 (0.69) CHEK1
SCHEMBL4857112 0.90 CHEK1 (0.70) CHEK1
SCHEMBL4859464 0.89 CHEK1 (0.70) CHEK1
SCHEMBL4855617 0.88 CHEK1 (0.69) CHEK1
SCHEMBL4890057 0.88 CHEK1 (0.69) CHEK1
SCHEMBL4855323 0.86 CHEK1 (0.65) 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 9 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
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 disclosed
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 46/4885DAPK3 284/4885PRKD3 194/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885DAPK3 249/4885PRKD3 203/4885

“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.