SCHEMBL4858728

SCHEMBL4858728

COc1cc(-c2ccc3c(c2)Nc2ccc(CCN(C)CCN(C)C)cc2NC3=O)ccc1OCc1cscn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.47
AURKB Q96GD4 3/20 0.43
MAPK8 P45983 2/20 0.43
KDR P35968 2/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
PIM1 P11309 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
LTK P29376 1/20 0.43
MAPK9 P45984 1/20 0.43
GSK3A P49840 1/20 0.43
CDK9 P50750 1/20 0.43

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
SCHEMBL4855810 0.85 CHEK1 (0.46) CHEK1AURKBMAPK8KDRPDPK1
SCHEMBL4856720 0.81 CHEK1 (0.53) CHEK1AURKBMAPK8ABL1PDPK1
SCHEMBL4849303 0.81 CHEK1 (0.53) CHEK1AURKBMAPK8KDRPDPK1
SCHEMBL4853779 0.81 CHEK1 (0.46) CHEK1AURKBMAPK8KDRPDPK1
SCHEMBL4852089 0.81 CHEK1 (0.47) CHEK1AURKBMAPK8KDRPDPK1
SCHEMBL4856074 0.81 AURKB (0.44) CHEK1AURKBMAPK8KDRMAP4K4
SCHEMBL4857670 0.81 CHEK1 (0.43) CHEK1AURKBMAPK8KDRPDPK1
SCHEMBL4855309 0.81 CHEK1 (0.43) CHEK1AURKBMAPK8KDRPDPK1
SCHEMBL4854124 0.81 CHEK1 (0.47) CHEK1AURKBMAPK8KDRPDPK1
SCHEMBL4855830 0.81 CHEK1 (0.57) CHEK1AURKBMAPK8KDRPDPK1

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 38/4885AURKB 165/4885MAPK8 158/4885

“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.