SCHEMBL4305064

SCHEMBL4305064

CCOCc1nc2cnc(C)c(C)c2n1NC1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL4300735 0.82 JAK2 (0.35) MAPK1TLR7
SCHEMBL14466078 0.77
SCHEMBL12702247 0.67 CNR2 (0.33) TLR7
SCHEMBL4754407 0.67 TLR7 (0.38) MAPK1TLR7
SCHEMBL4760996 0.66 TLR7 (0.45) GAATLR7
SCHEMBL13663019 0.65 PDE1B (0.42) TLR7
SCHEMBL5806536 0.64 TLR7 (0.37) TLR7
SCHEMBL14466069 0.63 CYP1A2 (0.41) ALDH1A1CYP1A2GLAGAACYP2D6
SCHEMBL14466066 0.63 CYP1A2 (0.41) ALDH1A1CYP1A2GLAGAACYP2D6
SCHEMBL4299589 0.63

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 1 patent. 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

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 P2RY12 3558/4885ALDH1A1 821/4885CYP1A2 1975/4885

“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.