SCHEMBL4855054

SCHEMBL4855054

Brc1cn(CCN2CCCCC2)c2cnccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.47
NFATC1 O95644 3/20 0.47
GSK3B P49841 3/20 0.47
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
KDR P35968 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CACNA1B Q00975 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 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
SCHEMBL4857617 0.88 NFATC1 (0.61) DYRK1ANFATC1GSK3BCYP3A4KDR
SCHEMBL4848770 0.78 CNR2 (0.43) DYRK1ANFATC1GSK3BTDP1SMN1; SMN2
SCHEMBL4858180 0.78 DYRK1A (0.46) DYRK1ANFATC1GSK3BCNR1CNR2
SCHEMBL4857833 0.76 CYP19A1 (0.41) DYRK1ANFATC1GSK3B
SCHEMBL21917355 0.75 DYRK1A (0.44) DYRK1ANFATC1GSK3BCNR1CNR2
SCHEMBL4852904 0.75 CNR2 (0.48) DYRK1ANFATC1GSK3BCNR1CNR2
SCHEMBL21917167 0.74 DYRK1A (0.67) DYRK1ANFATC1GSK3BCNR1CNR2
SCHEMBL32691572 0.74 DYRK1A (0.67) DYRK1ANFATC1GSK3BCNR1CNR2
SCHEMBL4855717 0.74 DYRK1A (0.43) DYRK1ANFATC1GSK3BCNR1CNR2
SCHEMBL4849426 0.74 CYP17A1 (0.38) DYRK1ANFATC1GSK3BKCNH2

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.