SCHEMBL4301136

SCHEMBL4301136

CCOCc1nc2c(N)nc(C)c(C)c2n1NC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.38
CCND1 P24385 9/20 0.38
CCNE1 P24864 8/20 0.38
CDK6 Q00534 7/20 0.38
CDK4 P11802 5/20 0.38
TLR7 Q9NYK1 4/20 0.33
ALDH1A1 P00352 1/20 0.33
TLR8 Q9NR97 4/20 0.32
SRC P12931 2/20 0.31
CDK1 P06493 2/20 0.31
LMNA P02545 1/20 0.31
NUDT1 P36639 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4305036 0.89 CCNE1 (0.38) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL13663022 0.86 CCND1 (0.35) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL13663014 0.86 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL5806536 0.86 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL13663012 0.85 TLR7 (0.36) TLR7TLR8NUDT1
SCHEMBL5806666 0.85 CDK1 (0.36) CDK2CCND1CDK4TLR7TLR8
SCHEMBL4302882 0.83 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6281877 0.81 TLR7 (0.33) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL6281876 0.80 TLR7 (0.38) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL4296141 0.77 TLR7 (0.34) TLR7TLR8NUDT1

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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 US disclosed
US-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 US disclosed
US-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 US disclosed
WO-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 WO 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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS IL2, IL4I1, IFNG CDK2 438/4885CCND1 2212/4885CCNE1 1972/4885

“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.