SCHEMBL4856807

SCHEMBL4856807

Brc1cn(CCc2ccccn2)c2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
DYRK1A Q13627 3/20 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
SCHEMBL4858071 0.86 DYRK1A (0.45) CYP1A2CYP2D6KDM4CHSD17B10HDAC1
SCHEMBL4855827 0.77 DYRK1A (0.47) CNR1CNR2KDM4CDYRK1AKCNH2
SCHEMBL4856451 0.76 LTA4H (0.49) CNR2KDM4CDYRK1ANFATC1GSK3B
SCHEMBL4857328 0.76 CYP1B1 (0.42) KDM4CDYRK1AKCNH2NFATC1GSK3B
SCHEMBL4858180 0.76 DYRK1A (0.46) CNR1CNR2KDM4CDYRK1AKCNH2
SCHEMBL4849288 0.75 DYRK1A (0.41) CNR1CNR2KDM4CHRH3DYRK1A
SCHEMBL4855991 0.75 DYRK1A (0.51) KDM4CDYRK1AKCNH2NFATC1GSK3B
SCHEMBL4853249 0.74 DYRK1A (0.41) CNR1CNR2KDM4CDYRK1AKCNH2
SCHEMBL4857531 0.73 DYRK1A (0.66) CYP1A2CYP2D6KDM4CDYRK1AKCNH2
SCHEMBL29801631 0.73 DYRK1A (0.66) CYP1A2CYP2D6KDM4CDYRK1AKCNH2

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 CNR1 3205/4885CNR2 3224/4885CYP1A2 3589/4885

“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.