SCHEMBL4847952

SCHEMBL4847952

COC(=O)c1ccc2c(c1)Nc1cc(Cl)ccc1C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.55
KDR P35968 3/20 0.50
GSK3A P49840 3/20 0.50
CDK5 Q00535 3/20 0.50
FLT3 P36888 2/20 0.50
GSK3B P49841 2/20 0.50
IRAK4 Q9NWZ3 2/20 0.50
ROCK1 Q13464 2/20 0.50
ROCK2 O75116 1/20 0.50
CSF1R P07333 1/20 0.50
SLK Q9H2G2 1/20 0.50
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
CES1 P23141 1/20 0.47
PDPK1 O15530 2/20 0.45
DAPK3 O43293 2/20 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
SCHEMBL4849130 1.00 CHEK1 (0.55) CHEK1KDRGSK3ACDK5FLT3
SCHEMBL4857871 0.85 CHEK1 (0.58) CHEK1KDRGSK3ACDK5FLT3
SCHEMBL3619927 0.83 GSK3B (0.60) CHEK1KDRGSK3ACDK5FLT3
SCHEMBL4849751 0.80 CHEK1 (0.62) CHEK1KDRGSK3ACDK5FLT3
SCHEMBL4856149 0.79 CHEK1 (0.60) CHEK1CES1ALDH1A1
SCHEMBL4857810 0.78 CHEK1 (0.50) CHEK1KDRGSK3ACDK5FLT3
SCHEMBL4850566 0.78 CHEK1 (0.53) CHEK1KDRGSK3ACDK5FLT3
SCHEMBL4856929 0.78 CHEK1 (0.50) CHEK1KDRGSK3ACDK5FLT3
SCHEMBL4847870 0.78 CHEK1 (0.50) CHEK1KDRGSK3ACDK5FLT3
SCHEMBL4857458 0.78 CHEK1 (0.53) CHEK1KDRGSK3ACDK5FLT3

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 4 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 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 46/4885KDR 952/4885GSK3A 456/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885KDR 819/4885GSK3A 461/4885

“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.