SCHEMBL4853249

SCHEMBL4853249

Fc1cc(F)cc(CCn2cc(Br)c3ccncc32)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.41
NFATC1 O95644 5/20 0.41
GSK3B P49841 5/20 0.41
KCNH2 Q12809 3/20 0.35
KDM4C Q9H3R0 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
ROCK2 O75116 1/20 0.34
CYP19A1 P11511 1/20 0.32
CNR2 P34972 3/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL4849562 0.88 DYRK1A (0.38) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL4855991 0.88 DYRK1A (0.51) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL4847918 0.86 DYRK1A (0.52) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL4855278 0.77 CYP11B1 (0.42) DYRK1ANFATC1GSK3BKCNH2CYP11B1
SCHEMBL4849658 0.77 DYRK1A (0.67) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL4858180 0.76 DYRK1A (0.46) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL4855827 0.75 DYRK1A (0.47) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL4856748 0.75 DYRK1A (0.48) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL4857053 0.74 DYRK1A (0.43) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL4856807 0.74 CNR1 (0.44) DYRK1ANFATC1GSK3BKCNH2KDM4C

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 DYRK1A 1117/4885NFATC1 1618/4885GSK3B 465/4885

“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.