SCHEMBL3072977

SCHEMBL3072977

COCC(=O)n1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGMT P16455 2/20 0.32
PDE4A P27815 3/20 0.31
PDE4B Q07343 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL8843867 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5694071 0.83 KMT2A (0.41) ADORA2AKDM4EGAA
SCHEMBL16401834 0.81 FKBP1A (0.42)
SCHEMBL218666 0.81 GDA (0.34) MGMTPDE4APDE4BPDE4CPDE4D
Bromide SCHEMBL8165610 0.80 GDA (0.33) MGMTPDE4APDE4BPDE4CPDE4D
SCHEMBL3072987 0.80 MGMT (0.45) MGMTPDE4APDE4BPDE4CPDE4D
SCHEMBL6821768 0.79 GDA (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5347861 0.79 XDH (0.42) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL453202 0.77 GDA (0.32) ADORA2AADORA2B
SCHEMBL2940012 0.75 KDM4E (0.46) KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790843-B2 Cypin polypeptide and fragments thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2010-09-07 US disclosed
US-20080182970-A1 Using cypin in assays, diagnostics and treatment of cognitive disorders RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-07-31 US disclosed
US-7338769-B2 Methods for identifying agonists of cypin RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-03-04 US disclosed
US-20050214822-A1 Using cypin in assays, diagnostics and treatment of cognitive disorders RUTGERS, THE STATE UNIVERSITY OF NEV 2005-09-29 US disclosed