SCHEMBL4857751

SCHEMBL4857751

FC(F)(F)Oc1cccc(Cn2cc(Br)c3ccncc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.47
KDM4C Q9H3R0 2/20 0.43
DYRK1A Q13627 2/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KCNH2 Q12809 1/20 0.43
SERPINE1 P05121 1/20 0.42
ROCK1 Q13464 2/20 0.41
NFATC1 O95644 1/20 0.39
GSK3B P49841 1/20 0.39
KCNN4 O15554 2/20 0.39
DGAT2 Q96PD7 1/20 0.39
NTRK1 P04629 1/20 0.38
GLS O94925 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL4851322 0.85 LPO (0.47) ROCK2KDM4CDYRK1AKCNH2ROCK1
SCHEMBL29801631 0.78 DYRK1A (0.66) KDM4CDYRK1AKCNH2NFATC1GSK3B
SCHEMBL4857531 0.78 DYRK1A (0.66) KDM4CDYRK1AKCNH2NFATC1GSK3B
SCHEMBL4849408 0.77 DYRK1A (0.53) KDM4CDYRK1AKCNH2NFATC1GSK3B
SCHEMBL4857588 0.76 CYP19A1 (0.50) ROCK2KDM4CDYRK1AKCNH2ROCK1
SCHEMBL4847918 0.74 DYRK1A (0.52) KDM4CDYRK1AKCNH2NFATC1GSK3B
SCHEMBL4855301 0.74 DYRK1A (0.43) ROCK2KDM4CDYRK1AKCNH2ROCK1
SCHEMBL4856748 0.73 DYRK1A (0.48) ROCK2KDM4CDYRK1AKCNH2NFATC1
SCHEMBL4849658 0.73 DYRK1A (0.67) ROCK2KDM4CDYRK1AKCNH2ROCK1
SCHEMBL4855658 0.72 DYRK1A (0.47) KDM4CDYRK1AKCNH2SERPINE1NFATC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ROCK2 483/4885KDM4C 1604/4885DYRK1A 1117/4885

“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.