SCHEMBL13620401

SCHEMBL13620401

NCCCCNc1ncc2[nH]c(=O)n(Cc3ccccc3CC(F)(F)F)c2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.39
JAK2 O60674 3/20 0.38
JAK3 P52333 3/20 0.38
SYK P43405 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
USP1 O94782 4/20 0.36
PRKCQ Q04759 2/20 0.35

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
SCHEMBL13620506 0.89 HSP90AA1 (0.40) TLR7JAK2JAK3SYK
SCHEMBL13620514 0.86 BRD4 (0.43) TLR7JAK2JAK3SYKADORA3
SCHEMBL12371672 0.86 ADORA2A (0.43) TLR7JAK2JAK3SYKADORA3
SCHEMBL13620235 0.86 HSP90AA1 (0.41) TLR7JAK2JAK3SYK
SCHEMBL12371727 0.86 PRKCQ (0.49) TLR7JAK2JAK3ADORA3USP1
SCHEMBL13608357 0.86 ADORA3 (0.43) TLR7JAK2JAK3SYKADORA3
SCHEMBL12371703 0.85 JAK2 (0.44) TLR7JAK2JAK3ADORA3USP1
SCHEMBL13620291 0.85 USP1 (0.41) TLR7SYKADORA3USP1
SCHEMBL13620404 0.84 USP1 (0.40) TLR7JAK2JAK3ADORA3USP1
SCHEMBL12371675 0.84 BRD4 (0.43) TLR7JAK2JAK3ADORA3USP1

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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ TLR7 3960/4885JAK2 1072/4885JAK3 1062/4885

“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.