SCHEMBL4853007

SCHEMBL4853007

O=C1Nc2cc(CCn3ccccc3=O)ccc2Nc2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.54
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
CES1 P23141 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.37
LRRK2 Q5S007 2/20 0.37
CDC7 O00311 2/20 0.36
ROCK2 O75116 2/20 0.36
MAP4K4 O95819 2/20 0.36
PRKACA P17612 2/20 0.36
CDK2 P24941 2/20 0.36
GSK3B P49841 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 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
SCHEMBL4857795 0.80 SIGMAR1 (0.50) CHEK1CES1
SCHEMBL4855638 0.78 SIGMAR1 (0.51) CHEK1CES1LRRK2CDK2IRAK4
SCHEMBL4848111 0.77 CHEK1 (0.58) CHEK1MAOAMAOBCES1CSNK1G1
SCHEMBL4856777 0.76 CHEK1 (0.63) CHEK1CDC7ROCK2MAP4K4PRKACA
SCHEMBL4858414 0.76 CHEK1 (0.60) CHEK1MAOAMAOBCES1CSNK1G1
SCHEMBL4858965 0.76 CHEK1 (0.60) CHEK1MAOAMAOBCES1CSNK1G1
SCHEMBL4853657 0.75 CHEK1 (0.50) CHEK1CES1KDR
SCHEMBL4854922 0.75 CHEK1 (0.56) CHEK1MAOAMAOBCES1TGM2
SCHEMBL4857329 0.75 CHEK1 (0.56) CHEK1MAOAMAOBCES1TGM2
SCHEMBL29485956 0.75 CHEK1 (0.81) CHEK1CES1CSNK1G1LRRK2CDC7

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 46/4885MAOA 2117/4885MAOB 1870/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885MAOA 1994/4885MAOB 1614/4885

“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.