SCHEMBL4853307

SCHEMBL4853307

O=C1Nc2ccc(O)cc2Nc2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.65
CES1 P23141 2/20 0.56
LRRK2 Q5S007 2/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
TGM2 P21980 2/20 0.47
PPOX P50336 1/20 0.47
KDR P35968 1/20 0.46
CSNK1G1 Q9HCP0 1/20 0.42
PDPK1 O15530 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
PDGFRA P16234 1/20 0.41
FER P16591 1/20 0.41
LTK P29376 1/20 0.41
CDK8 P49336 1/20 0.41

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
SCHEMBL4856162 1.00 CHEK1 (0.65) CHEK1CES1LRRK2PSEN1PSEN2
SCHEMBL4853272 0.85 CHEK1 (0.58) CHEK1CES1KDRPDPK1CDK8
SCHEMBL29485956 0.82 CHEK1 (0.81) CHEK1CES1LRRK2TGM2PPOX
SCHEMBL4856816 0.82 CHEK1 (0.81) CHEK1CES1LRRK2TGM2PPOX
SCHEMBL1291059 0.81 CHEK1 (0.65) CHEK1CES1LRRK2PSEN1PSEN2
SCHEMBL4851954 0.81 CHEK1 (0.65) CHEK1CES1LRRK2TGM2PPOX
SCHEMBL1291050 0.81 CHEK1 (0.65) CHEK1CES1LRRK2PSEN1PSEN2
SCHEMBL4857611 0.81 CHEK1 (0.65) CHEK1CES1LRRK2TGM2PPOX
SCHEMBL4858965 0.81 CHEK1 (0.60) CHEK1CES1TGM2PPOXKDR
SCHEMBL4857871 0.80 CHEK1 (0.58) CHEK1CES1TGM2PPOXKDR

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 46/4885CES1 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.