SCHEMBL4858818

SCHEMBL4858818

O=C1Nc2cc(CN3CCOCC3)ccc2Nc2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.49
LRRK2 Q5S007 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
DRD4 P21917 2/20 0.46
PDGFRB P09619 2/20 0.46
KDR P35968 2/20 0.46
AKR1C3 P42330 1/20 0.45
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 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
SCHEMBL4855638 0.90 SIGMAR1 (0.51) CHEK1LRRK2SIGMAR1ABL1FLT3
SCHEMBL4853657 0.87 CHEK1 (0.50) CHEK1SMN1; SMN2KDM4EALDH1A1DRD4
SCHEMBL4857624 0.80 CHEK1 (0.60) CHEK1LRRK2MAPK1PDGFRBTSHR
SCHEMBL4850676 0.79 CHEK1 (0.75) CHEK1LRRK2MAPK1DRD4DRD2
SCHEMBL4847650 0.79 CHEK1 (0.53) CHEK1LRRK2MAPK1ABL1
SCHEMBL4857795 0.78 SIGMAR1 (0.50) CHEK1DRD2HTR2AADRA1BTMEM97
SCHEMBL4858414 0.76 CHEK1 (0.60) CHEK1CES1
SCHEMBL4858965 0.76 CHEK1 (0.60) CHEK1KDRABL1CES1
SCHEMBL4848111 0.75 CHEK1 (0.58) CHEK1KDRTP53CES1
SCHEMBL6827997 0.75 PDGFRB (0.42) LRRK2SMN1; SMN2ALDH1A1MAPTDRD4

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885LRRK2 684/4885SMN1; SMN2 3562/4885

“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.