SCHEMBL4858889

SCHEMBL4858889

CC(C)(C(=O)N1CCOCC1)c1ccc2c(c1)NC(=O)c1ccc(Nc3cc(F)nc(F)c3)cc1N2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.50
IKBKB O14920 1/20 0.49
NR1I2 O75469 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM2 Q14416 1/20 0.41
CHEK2 O96017 1/20 0.40
KIT P10721 1/20 0.40
MARK3 P27448 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
MARK2 Q7KZI7 1/20 0.40
AURKB Q96GD4 1/20 0.40
ABL1 P00519 1/20 0.38
GNRHR P30968 1/20 0.36
PAK1 Q13153 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL4856842 0.92 CHEK1 (0.52) CHEK1IKBKBCHEK2KITMARK3
SCHEMBL4855365 0.89 CHEK1 (0.49) CHEK1IKBKBCHEK2KITMARK3
SCHEMBL4891936 0.86 CHEK1 (0.65) CHEK1IKBKBCHEK2KITMARK3
SCHEMBL4857733 0.85 CHEK1 (0.47) CHEK1IKBKBPDGFRBKDR
SCHEMBL4859764 0.84 CHEK1 (0.56) CHEK1IKBKBKDR
SCHEMBL4847679 0.84 CHEK1 (0.58) CHEK1IKBKB
SCHEMBL4849210 0.84 CHEK1 (0.53) CHEK1IKBKBCHEK2KITMARK3
SCHEMBL6827591 0.82 CHEK1 (0.38) CHEK1IKBKBNR1I2KCNH2GRM2
SCHEMBL4852366 0.82 CHEK1 (0.56) CHEK1IKBKBNR1I2KCNH2GRM2
SCHEMBL4859025 0.81 CHEK1 (0.48) CHEK1IKBKBABL1

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 8 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
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP claimed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US claimed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO 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

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 46/4885IKBKB 421/4885NR1I2 2902/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885IKBKB 358/4885NR1I2 3595/4885

“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.