SCHEMBL4854988

SCHEMBL4854988

Brc1cn(CCOc2ccc(N3CCOCC3)cc2)c2cnccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CHEK1 O14757 3/20 0.44
NFATC1 O95644 2/20 0.43
GSK3B P49841 2/20 0.43
DYRK1A Q13627 2/20 0.43
PDPK1 O15530 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKX P51817 1/20 0.42
TNK2 Q07912 1/20 0.42
PTPN7 P35236 1/20 0.41
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAA1 Q13131 2/20 0.41

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
SCHEMBL4856451 0.81 LTA4H (0.49) NFATC1GSK3BDYRK1APTPN7NPC1
SCHEMBL4857617 0.79 NFATC1 (0.61) CYP3A4CYP2D6CYP2C19NFATC1GSK3B
SCHEMBL4853317 0.74 CHEK1 (0.72) CHEK1NFATC1GSK3BDYRK1APDPK1
SCHEMBL21917167 0.72 DYRK1A (0.67) NFATC1GSK3BDYRK1A
SCHEMBL32691572 0.72 DYRK1A (0.67) NFATC1GSK3BDYRK1A
SCHEMBL4851778 0.70 DYRK1A (0.50) NFATC1GSK3BDYRK1A
SCHEMBL21917169 0.68 DYRK1A (0.56) CYP1A2CYP2C9CYP2C19NFATC1GSK3B
SCHEMBL21917355 0.66 DYRK1A (0.44) NFATC1GSK3BDYRK1A
SCHEMBL4852904 0.66 CNR2 (0.48) NFATC1GSK3BDYRK1AKDM4EKMT2A
SCHEMBL4855717 0.65 DYRK1A (0.43) NFATC1GSK3BDYRK1A

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 CYP1A2 3589/4885CYP3A4 3755/4885CYP2D6 3462/4885

“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.