SCHEMBL4852341

SCHEMBL4852341

COc1cc(-c2ccc3c(c2)Nc2ccc(NC(=O)CCN4CCCCC4)cc2NC3=O)ccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.56
MAPK1 P28482 2/20 0.48
CHEK2 O96017 1/20 0.48
KIT P10721 1/20 0.48
MARK3 P27448 1/20 0.48
AKT1 P31749 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
AURKB Q96GD4 1/20 0.48
PAK1 Q13153 5/20 0.47
TERT O14746 7/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.44

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 0.88 CHEK1 (0.55) CHEK1MAPK1CHEK2KITMARK3
SCHEMBL4852462 0.85 CHEK1 (0.58) CHEK1
SCHEMBL4849421 0.85 CHEK1 (0.59) CHEK1
SCHEMBL4859028 0.78 CHEK1 (0.68) CHEK1MAPK1CHEK2KITMARK3
SCHEMBL4854073 0.77 CHEK1 (0.80) CHEK1MAPK1CHEK2KITMARK3
SCHEMBL4851831 0.76 CHEK1 (0.64) CHEK1MAPK1CHEK2KITMARK3
SCHEMBL4857786 0.76 CHEK1 (0.65) CHEK1CHEK2MARK3AKT1MARK2
SCHEMBL4852139 0.76 CHEK1 (0.69) CHEK1CHEK2AURKB
SCHEMBL1290717 0.75 CDK1 (0.58) CHEK1PAK1TERTALDH1A1MAPT
SCHEMBL4851811 0.74 CHEK1 (0.69) CHEK1MAPK1CHEK2KITMARK3

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 46/4885MAPK1 72/4885CHEK2 28/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885MAPK1 221/4885CHEK2 19/4885

“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.