SCHEMBL4853336

SCHEMBL4853336

Cc1ncccc1OCCc1ccc2c(c1)NC(=O)c1ccc(-c3cn(CCc4ccc(C#N)cc4)c4cnccc34)cc1N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.54
PDPK1 O15530 3/20 0.51
ROCK2 O75116 3/20 0.51
PRKX P51817 1/20 0.51
TNK2 Q07912 1/20 0.51
CDK2 P24941 3/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
JAK2 O60674 2/20 0.39
MAPK8 P45983 2/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
GSK3B P49841 3/20 0.34
CDC7 O00311 2/20 0.34
MAP4K4 O95819 2/20 0.34
PRKACA P17612 2/20 0.34
HIPK2 Q9H2X6 2/20 0.34

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
SCHEMBL4858995 0.93 CHEK1 (0.53) CHEK1PDPK1ROCK2PRKXTNK2
SCHEMBL4854838 0.88 CHEK1 (0.57) CHEK1PDPK1ROCK2PRKXTNK2
SCHEMBL4856972 0.86 CHEK1 (0.58) CHEK1PDPK1ROCK2PRKXTNK2
SCHEMBL4855001 0.85 CHEK1 (0.52) CHEK1PDPK1ROCK2PRKXTNK2
SCHEMBL4854771 0.85 CHEK1 (0.59) CHEK1PDPK1ROCK2PRKXTNK2
SCHEMBL4858076 0.85 CHEK1 (0.60) CHEK1PDPK1ROCK2PRKXTNK2
SCHEMBL4858594 0.84 CHEK1 (0.69) CHEK1PDPK1ROCK2PRKXTNK2
SCHEMBL4857023 0.83 CHEK1 (0.77) CHEK1PDPK1ROCK2PRKXTNK2
SCHEMBL4850253 0.82 CHEK1 (0.57) CHEK1PDPK1ROCK2PRKXTNK2
SCHEMBL4858873 0.80 CHEK1 (0.67) CHEK1PDPK1ROCK2PRKXTNK2

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
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US claimed
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 38/4885PDPK1 118/4885ROCK2 483/4885

“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.