SCHEMBL4855717

SCHEMBL4855717

CCn1cc(Br)c2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.43
KCNH2 Q12809 3/20 0.43
NFATC1 O95644 5/20 0.41
GSK3B P49841 5/20 0.41
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CYP19A1 P11511 2/20 0.38
TBXAS1 P24557 1/20 0.38
MAP3K5 Q99683 2/20 0.38
AXL P30530 1/20 0.36
CDK2 P24941 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CA9 Q16790 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL4858180 0.87 DYRK1A (0.46) DYRK1AKCNH2NFATC1GSK3BKDM5A
SCHEMBL4852904 0.84 CNR2 (0.48) DYRK1AKCNH2NFATC1GSK3BKDM4C
SCHEMBL27124825 0.81 DYRK1A (0.44) DYRK1AKCNH2NFATC1GSK3BKDM5A
SCHEMBL4851778 0.81 DYRK1A (0.50) DYRK1AKCNH2NFATC1GSK3BKDM4C
SCHEMBL4857177 0.80 DYRK1A (0.39) DYRK1AKCNH2NFATC1GSK3BKDM5A
SCHEMBL21917167 0.80 DYRK1A (0.67) DYRK1AKCNH2NFATC1GSK3BKDM4C
SCHEMBL32691572 0.80 DYRK1A (0.67) DYRK1AKCNH2NFATC1GSK3BKDM4C
SCHEMBL21917173 0.79 DYRK1A (0.43) DYRK1AKCNH2NFATC1GSK3BKDM5A
SCHEMBL21917257 0.79 AXL (0.40) KDM5AKDM4CMAP3K5AXL
SCHEMBL4849426 0.79 CYP17A1 (0.38) DYRK1AKCNH2NFATC1GSK3BKDM4C

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 1117/4885KCNH2 2535/4885NFATC1 1618/4885

“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.