SCHEMBL4856972

SCHEMBL4856972

Cc1ncccc1OCCc1ccc2c(c1)NC(=O)c1ccc(-c3cn(Cc4ccccc4)c4cnccc34)cc1N2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.58
ROCK2 O75116 5/20 0.57
PDPK1 O15530 1/20 0.57
PRKX P51817 1/20 0.57
TNK2 Q07912 1/20 0.57
DYRK1A Q13627 2/20 0.44
KCNH2 Q12809 1/20 0.44
CDK2 P24941 5/20 0.41
DYRK1B Q9Y463 1/20 0.41
GSK3B P49841 6/20 0.41
NFATC1 O95644 1/20 0.41
CDC7 O00311 4/20 0.40
MAP4K4 O95819 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
IRAK4 Q9NWZ3 4/20 0.40
PRKACA P17612 3/20 0.40
HIPK2 Q9H2X6 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
KDM4C Q9H3R0 1/20 0.36
QPCT Q16769 1/20 0.35

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
SCHEMBL4858594 0.92 CHEK1 (0.69) CHEK1ROCK2PDPK1PRKXTNK2
SCHEMBL4850253 0.90 CHEK1 (0.57) CHEK1ROCK2PDPK1PRKXTNK2
SCHEMBL4853336 0.86 CHEK1 (0.54) CHEK1ROCK2PDPK1PRKXTNK2
SCHEMBL4849396 0.83 DYRK1A (0.60) CHEK1ROCK2PDPK1PRKXTNK2
SCHEMBL4858873 0.82 CHEK1 (0.67) CHEK1ROCK2PDPK1PRKXTNK2
SCHEMBL4856364 0.82 CHEK1 (0.65) CHEK1ROCK2PDPK1PRKXTNK2
SCHEMBL4857470 0.81 CHEK1 (0.85) CHEK1ROCK2PDPK1PRKXTNK2
SCHEMBL4855001 0.81 CHEK1 (0.52) CHEK1ROCK2PDPK1PRKXTNK2
SCHEMBL4858995 0.79 CHEK1 (0.53) CHEK1ROCK2PDPK1PRKXTNK2
SCHEMBL4859317 0.78 CHEK1 (0.84) CHEK1ROCK2PDPK1PRKXTNK2

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 38/4885ROCK2 483/4885PDPK1 118/4885

“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.