SCHEMBL4299912

SCHEMBL4299912

CCOCc1nc2cnc3cccnc3c2n1NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 18/20 0.38
PDE1B Q01064 18/20 0.38
PDE1C Q14123 17/20 0.38
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL4299553 0.88 PDE10A (0.38) PDE1APDE1BPDE1CTLR8TLR7
SCHEMBL4824309 0.84 TLR7 (0.40) TLR8TLR7
SCHEMBL4302529 0.83 TLR7 (0.47) TLR8TLR7HSP90AA1HSP90AB1
SCHEMBL4298976 0.80 TLR7 (0.38) PDE1APDE1BPDE1CTLR8TLR7
SCHEMBL4305882 0.79 TLR7 (0.38) TLR8TLR7
SCHEMBL13663019 0.79 PDE1B (0.42) PDE1APDE1BPDE1CTLR7
SCHEMBL4296333 0.76 TLR7 (0.34) PDE1APDE1BPDE1CTLR8TLR7
SCHEMBL3353822 0.76 AVPR1A (0.43) TLR8TLR7
SCHEMBL1895061 0.75 TLR7 (0.56) TLR8TLR7
SCHEMBL4310319 0.75 TLR8 (0.39) TLR8TLR7

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 PDE1A 2601/4885PDE1B 3396/4885PDE1C 3360/4885

“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.