SCHEMBL4857617

SCHEMBL4857617

Brc1cn(CCN2CCOCC2)c2cnccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFATC1 O95644 2/20 0.61
GSK3B P49841 2/20 0.61
DYRK1A Q13627 2/20 0.61
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
EGFR P00533 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK13 O15264 1/20 0.39

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
SCHEMBL4855054 0.88 DYRK1A (0.47) NFATC1GSK3BDYRK1AFLT1FLT4
SCHEMBL4854988 0.79 CYP1A2 (0.46) NFATC1GSK3BDYRK1AFLT1FLT4
SCHEMBL254192 0.77 NFATC1 (0.46) NFATC1GSK3BDYRK1AEGFRSMN1; SMN2
SCHEMBL4858180 0.77 DYRK1A (0.46) NFATC1GSK3BDYRK1ACNR1CNR2
SCHEMBL4857833 0.75 CYP19A1 (0.41) NFATC1GSK3BDYRK1A
SCHEMBL4848770 0.74 CNR2 (0.43) NFATC1GSK3BDYRK1ASMN1; SMN2HTT
SCHEMBL4852904 0.74 CNR2 (0.48) NFATC1GSK3BDYRK1ALMNACNR1
SCHEMBL21917355 0.74 DYRK1A (0.44) NFATC1GSK3BDYRK1ACNR1CNR2
SCHEMBL32691572 0.73 DYRK1A (0.67) NFATC1GSK3BDYRK1ACNR1CNR2
SCHEMBL21917167 0.73 DYRK1A (0.67) NFATC1GSK3BDYRK1ACNR1CNR2

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 NFATC1 1618/4885GSK3B 465/4885DYRK1A 1117/4885

“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.