SCHEMBL4887273

SCHEMBL4887273

COc1cc(-c2ccc3c(c2)Nc2ccc(NC(=O)CCCCl)cc2NC3=O)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.59
CASP3 P42574 1/20 0.49
AURKB Q96GD4 5/20 0.48
CHEK2 O96017 3/20 0.48
MARK3 P27448 2/20 0.48
AKT1 P31749 2/20 0.48
MARK2 Q7KZI7 2/20 0.48
KIT P10721 1/20 0.48
MAPK1 P28482 1/20 0.48
MAP4K4 O95819 3/20 0.47
PIM1 P11309 3/20 0.47
GSK3A P49840 3/20 0.47
CDK5 Q00535 3/20 0.47
TAOK1 Q7L7X3 3/20 0.47
PDPK1 O15530 2/20 0.47
CDK1 P06493 2/20 0.47
CDK2 P24941 2/20 0.47
GSK3B P49841 2/20 0.47
CAMK2B Q13554 2/20 0.47
CAMK2D Q13557 2/20 0.47

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
SCHEMBL4855660 0.85 CHEK1 (0.55) CHEK1AURKBCHEK2MARK3AKT1
SCHEMBL4885501 0.82 CHEK1 (0.59) CHEK1AURKBCHEK2MARK3AKT1
SCHEMBL4888106 0.82 CASP3 (0.60) CHEK1CASP3PRKAA1
SCHEMBL4891071 0.79 CASP3 (0.56) CHEK1CASP3PRKAA1KDRPDGFRB
SCHEMBL4883779 0.79 CHEK1 (0.66) CHEK1
SCHEMBL4859402 0.79 CHEK1 (0.66) CHEK1AURKBCHEK2MARK3AKT1
SCHEMBL4854166 0.78 CHEK1 (0.65) CHEK1
SCHEMBL4859674 0.78 CHEK1 (0.66) CHEK1AURKBCHEK2MARK3AKT1
SCHEMBL4888658 0.77 CHEK1 (0.66) CHEK1
SCHEMBL4854940 0.76 CHEK1 (0.67) CHEK1AURKBCHEK2MARK3AKT1

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 46/4885CASP3 2802/4885AURKB 196/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CASP3 2513/4885AURKB 165/4885

“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.