SCHEMBL4849024

SCHEMBL4849024

Brc1cn(CC2CCOC2)c2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.50
KCNH2 Q12809 2/20 0.50
CNR1 P21554 5/20 0.42
CNR2 P34972 5/20 0.42
GSK3B P49841 3/20 0.40
NFATC1 O95644 2/20 0.40
NAMPT P43490 5/20 0.38
PIK3CA P42336 2/20 0.38
CHUK O15111 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP11B2 P19099 1/20 0.34

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
SCHEMBL4857080 0.83 DYRK1A (0.59) DYRK1AKCNH2CNR1GSK3BNFATC1
SCHEMBL4858853 0.75 DYRK1A (0.57) DYRK1AKCNH2GSK3BPIK3CA
SCHEMBL4857617 0.73 NFATC1 (0.61) DYRK1ACNR1CNR2GSK3BNFATC1
SCHEMBL2468525 0.72 DYRK1A (0.50) DYRK1AKCNH2CNR1CNR2GSK3B
SCHEMBL31165814 0.72 DYRK1A (0.67) DYRK1AKCNH2GSK3BNFATC1
SCHEMBL4859713 0.72 DYRK1A (0.67) DYRK1AKCNH2GSK3BNFATC1
SCHEMBL4855717 0.70 DYRK1A (0.43) DYRK1AKCNH2CNR1CNR2GSK3B
SCHEMBL4851580 0.70 CHEK1 (0.48) DYRK1AKCNH2CNR1CNR2GSK3B
SCHEMBL18256602 0.69 PARG (0.46) NAMPTPIK3CA
SCHEMBL19117804 0.69 DYRK1A (0.66) DYRK1AKCNH2GSK3BNFATC1GRIN2B

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 2535/4885CNR1 3205/4885

“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.