SCHEMBL4857552

SCHEMBL4857552

CS(=O)(=O)Nc1ccc2c(c1)NC(=O)c1ccc(Cl)cc1N2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.55
CES1 P23141 2/20 0.50
CDK2 P24941 2/20 0.50
CDK1 P06493 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
ABL1 P00519 2/20 0.47
TGM2 P21980 1/20 0.47
ATIC P31939 1/20 0.46
CDK9 P50750 1/20 0.45
IRAK1 P51617 1/20 0.45
PTK2 Q05397 1/20 0.45
SRPK1 Q96SB4 1/20 0.45
SLK Q9H2G2 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
TDP2 O95551 1/20 0.44
PDPK1 O15530 3/20 0.44
KIF11 P52732 1/20 0.43
PPOX P50336 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
SCHEMBL4858198 0.80 LRRK2 (0.57) CHEK1CES1TGM2PDPK1
SCHEMBL4852139 0.76 CHEK1 (0.69) CHEK1CDK2CDK1IRAK4ABL1
SCHEMBL4857677 0.76 CHEK1 (0.67) CHEK1CDK2CDK1IRAK4ABL1
SCHEMBL1290955 0.74 CHEK1 (0.48) CHEK1CES1TGM2
SCHEMBL29485956 0.74 CHEK1 (0.81) CHEK1CES1CDK2CDK1IRAK4
SCHEMBL4856816 0.74 CHEK1 (0.81) CHEK1CES1CDK2CDK1IRAK4
SCHEMBL4853307 0.74 CHEK1 (0.65) CHEK1CES1TGM2PDPK1PPOX
SCHEMBL1291050 0.74 CHEK1 (0.65) CHEK1CES1CDK2IRAK4TGM2
SCHEMBL4856162 0.74 CHEK1 (0.65) CHEK1CES1TGM2PDPK1PPOX
SCHEMBL4857611 0.74 CHEK1 (0.65) CHEK1CES1CDK2IRAK4TGM2

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 46/4885CES1 1804/4885CDK2 19/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CES1 2761/4885CDK2 11/4885

“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.