SCHEMBL4851744

SCHEMBL4851744

Ic1cn(CCc2ccccc2)c2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.49
KCNH2 Q12809 1/20 0.49
KDM4C Q9H3R0 2/20 0.46
HTT P42858 1/20 0.43
PLK1 P53350 1/20 0.42
CDK2 P24941 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
HTR6 P50406 1/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.39
NFATC1 O95644 2/20 0.39
GSK3B P49841 2/20 0.39
LTA4H P09960 1/20 0.38
HASPIN Q8TF76 1/20 0.37

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
SCHEMBL27640882 0.82 HTR6 (0.56) HTTHTR6CNR2CNR1
SCHEMBL21917362 0.79 DYRK1A (0.46) DYRK1AKCNH2KDM4CCNR2CNR1
SCHEMBL3389008 0.79 DYRK1A (0.46) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL21917170 0.77 TBXAS1 (0.46) DYRK1AKCNH2KDM4CCNR2CNR1
SCHEMBL21917360 0.77 DYRK1A (0.44) DYRK1AKCNH2KDM4CCNR2CNR1
SCHEMBL4857118 0.76 DYRK1A (0.57) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL253653 0.75 DYRK1A (0.67) DYRK1AKCNH2CNR2CNR1NFATC1
SCHEMBL21917173 0.75 DYRK1A (0.43) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL4855827 0.75 DYRK1A (0.47) DYRK1AKCNH2KDM4CPLK1CDK2
SCHEMBL21917359 0.74 TBXAS1 (0.43) DYRK1AKCNH2KDM4CCNR2CNR1

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 2535/4885KDM4C 1604/4885

“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.