SCHEMBL4850874

SCHEMBL4850874

COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1C(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 1.00
CDK5 Q00535 2/20 0.60
ROCK2 O75116 1/20 0.60
CSF1R P07333 1/20 0.60
KDR P35968 1/20 0.60
FLT3 P36888 1/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
ROCK1 Q13464 1/20 0.60
SLK Q9H2G2 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.60
DAPK3 O43293 1/20 0.57
PRKD3 O94806 1/20 0.57
ABL1 P00519 1/20 0.57
PIM1 P11309 1/20 0.57
LTK P29376 1/20 0.57
MAPK8 P45983 1/20 0.57
CDK8 P49336 1/20 0.57
CDK9 P50750 1/20 0.57
PRKX P51817 1/20 0.57

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
SCHEMBL4854812 0.90 CHEK1 (1.00) CHEK1CDK5ROCK2CSF1RKDR
SCHEMBL4855466 0.89 CHEK1 (1.00) CHEK1CDK5ROCK2CSF1RKDR
SCHEMBL4858978 0.89 CHEK1 (1.00) CHEK1CDK5ROCK2CSF1RKDR
SCHEMBL4852852 0.84 CHEK1 (0.72) CHEK1CDK5KDRFLT3GSK3A
SCHEMBL4860069 0.84 CHEK1 (1.00) CHEK1CDK5ROCK2KDRFLT3
SCHEMBL6829451 0.83 CHEK1 (0.70) CHEK1CDK5ROCK2KDRFLT3
SCHEMBL4858358 0.82 CHEK1 (0.74) CHEK1CDK5ROCK2CSF1RKDR
SCHEMBL4856064 0.81 CHEK1 (1.00) CHEK1CDK5ROCK2GSK3AGSK3B
SCHEMBL4847822 0.78 CHEK1 (1.00) CHEK1CDK5ROCK2GSK3BIRAK4
SCHEMBL5417630 0.78 CHEK1 (1.00) CHEK1CDK5ROCK2CSF1RKDR

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 9 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
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 46/4885CDK5 110/4885ROCK2 486/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CDK5 52/4885ROCK2 483/4885

“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.