SCHEMBL4850150

SCHEMBL4850150

O=C1Nc2cc(CCOc3ccccn3)ccc2Nc2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.52
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CDC7 O00311 3/20 0.39
ROCK2 O75116 3/20 0.39
MAP4K4 O95819 3/20 0.39
CDK2 P24941 3/20 0.39
GSK3B P49841 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
PRKACA P17612 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CES1 P23141 1/20 0.39
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4850394 0.84 CHEK1 (0.55) CHEK1MAOAMAOBCDC7ROCK2
SCHEMBL4853529 0.82 CHEK1 (0.46) CHEK1CDC7ROCK2MAP4K4CDK2
SCHEMBL4859229 0.81 CHEK1 (0.45) CHEK1MAOAMAOBCDK2IRAK4
SCHEMBL4856878 0.80 CHEK1 (0.48) CHEK1CDC7ROCK2MAP4K4CDK2
SCHEMBL4857482 0.78 CHEK1 (0.66) CHEK1CDC7ROCK2MAP4K4CDK2
SCHEMBL4850730 0.78 CHEK1 (0.50) CHEK1MAOAMAOBCDK2IRAK4
SCHEMBL4847594 0.77 CHEK1 (0.55) CHEK1MAOAMAOBCDC7ROCK2
SCHEMBL4849777 0.77 PSEN1 (0.53) CHEK1MAOAMAOBCDK2GSK3B
SCHEMBL4857387 0.77 CHEK1 (0.66) CHEK1
SCHEMBL4859705 0.77 CHEK1 (0.43) CHEK1MAOAMAOBCDC7ROCK2

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 4 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
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 46/4885MAOA 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.