SCHEMBL4850118

SCHEMBL4850118

COc1cc2c(cc1OCCCCO)Nc1cc(Nc3ccncn3)ccc1C(=O)N2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.70
AURKA O14965 1/20 0.58
KDR P35968 1/20 0.58
AURKB Q96GD4 1/20 0.58
MKNK1 Q9BUB5 7/20 0.48
MKNK2 Q9HBH9 3/20 0.48
PDPK1 O15530 1/20 0.48
MAP4K4 O95819 1/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
CDK1 P06493 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
SYK P43405 1/20 0.48
TYRO3 Q06418 1/20 0.48
MAP4K2 Q12851 1/20 0.48
ROCK1 Q13464 1/20 0.48
PKN2 Q16513 1/20 0.48
CDC42BPA Q5VT25 1/20 0.48
MINK1 Q8N4C8 1/20 0.48

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
SCHEMBL4857378 0.87 CHEK1 (0.54) CHEK1AURKAKDRAURKBMKNK1
SCHEMBL4857166 0.83 CHEK1 (1.00) CHEK1AURKAKDRAURKBMKNK2
SCHEMBL4855002 0.82 CHEK1 (0.55) CHEK1KDRMKNK1MKNK2PDPK1
SCHEMBL4857494 0.81 CHEK1 (0.70) CHEK1AURKAKDRAURKBMKNK2
SCHEMBL4849758 0.79 CHEK1 (0.79) CHEK1AURKAKDRAURKBMKNK2
SCHEMBL4849782 0.76 CHEK1 (0.55) CHEK1KDRMKNK1MKNK2PDPK1
SCHEMBL4857572 0.74 AURKB (1.00) CHEK1AURKAKDRAURKBMKNK2
SCHEMBL4850991 0.73 CHEK1 (0.60) CHEK1MKNK1MKNK2PDPK1MAP4K4
SCHEMBL4855191 0.73 CHEK1 (0.77) CHEK1MKNK1MKNK2PDPK1MAP4K4
SCHEMBL4849319 0.73 CHEK1 (0.77) CHEK1MKNK1MKNK2PDPK1MAP4K4

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 7 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 claimed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US claimed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US claimed
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 46/4885AURKA 263/4885KDR 952/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885AURKA 268/4885KDR 819/4885

“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.