SCHEMBL4857458

SCHEMBL4857458

COC(=O)CCc1ccc2c(c1)Nc1cc(Cl)ccc1C(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.53
CES1 P23141 1/20 0.43
EGFR P00533 1/20 0.42
PTPN1 P18031 2/20 0.42
ROCK2 O75116 1/20 0.41
CSF1R P07333 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
ROCK1 Q13464 1/20 0.41
SLK Q9H2G2 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4850566 1.00 CHEK1 (0.53) CHEK1CES1EGFRPTPN1ROCK2
SCHEMBL4859402 0.83 CHEK1 (0.66) CHEK1EGFRROCK2KDRFLT3
SCHEMBL4857371 0.83 CHEK1 (0.51) CHEK1CES1EGFRROCK2CSF1R
SCHEMBL4855598 0.82 CHEK1 (0.65) CHEK1EGFR
SCHEMBL4854801 0.82 CHEK1 (0.56) CHEK1CES1
SCHEMBL4848111 0.81 CHEK1 (0.58) CHEK1CES1KDR
SCHEMBL4851939 0.81 CHEK1 (0.55) CHEK1CES1KDM4E
SCHEMBL4858965 0.80 CHEK1 (0.60) CHEK1CES1KDR
SCHEMBL4856016 0.80 CHEK1 (0.49) CHEK1PTPN1ROCK2CSF1RKDR
SCHEMBL4854922 0.79 CHEK1 (0.56) CHEK1CES1KDR

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 6 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
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO 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 1804/4885EGFR 551/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CES1 2761/4885EGFR 512/4885

“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.