SCHEMBL4855834

SCHEMBL4855834

O=C1Nc2ccc(N3CCC(O)CC3)cc2Nc2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.50
CES1 P23141 2/20 0.43
LRRK2 Q5S007 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
WDR91 A4D1P6 1/20 0.38
TNK2 Q07912 2/20 0.37
AR P10275 1/20 0.37
TGM2 P21980 1/20 0.37
PPOX P50336 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL4851463 0.87 CHEK1 (0.56) CHEK1CES1LRRK2TGM2PPOX
SCHEMBL4857624 0.83 CHEK1 (0.60) CHEK1CES1LRRK2
SCHEMBL4847603 0.77 CHEK1 (0.45) CHEK1CES1LRRK2
SCHEMBL4849523 0.75 CHEK1 (0.62) CHEK1CES1LRRK2TGM2
SCHEMBL4857284 0.74 CHEK1 (0.58) CHEK1CES1LRRK2TGM2
SCHEMBL4849290 0.74 CHEK1 (0.65) CHEK1
SCHEMBL4853307 0.73 CHEK1 (0.65) CHEK1CES1LRRK2TGM2PPOX
SCHEMBL4856162 0.73 CHEK1 (0.65) CHEK1CES1LRRK2TGM2PPOX
SCHEMBL4859804 0.71 CHEK1 (0.51) CHEK1CES1TGM2PPOX
SCHEMBL29485956 0.70 CHEK1 (0.81) CHEK1CES1LRRK2TGM2PPOX

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 6 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
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO 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 46/4885CES1 1804/4885LRRK2 667/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CES1 2761/4885LRRK2 684/4885

“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.