SCHEMBL13620404

SCHEMBL13620404

CC(CN)CNc1ncc2[nH]c(=O)n(Cc3ccccc3CC(F)(F)F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP1 O94782 17/20 0.40
ADORA3 P0DMS8 1/20 0.38
TLR7 Q9NYK1 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 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
SCHEMBL13608405 0.87 USP1 (0.43) USP1ADORA3
SCHEMBL13620075 0.87 BRD4 (0.43) USP1ADORA3JAK2JAK3
SCHEMBL13620401 0.84 TLR7 (0.39) USP1ADORA3TLR7JAK2JAK3
SCHEMBL13620291 0.82 USP1 (0.41) USP1ADORA3TLR7
SCHEMBL12371744 0.77 JAK2 (0.42) USP1ADORA3JAK2JAK3
SCHEMBL12371717 0.75 ALDH1A1 (0.41) USP1ADORA3TLR7JAK2JAK3
SCHEMBL12371741 0.74 ADORA2A (0.44) USP1ADORA3
SCHEMBL13620235 0.74 HSP90AA1 (0.41) TLR7JAK2JAK3
SCHEMBL12371672 0.73 ADORA2A (0.43) ADORA3TLR7JAK2JAK3
SCHEMBL12371796 0.73 JAK2 (0.42) USP1ADORA3JAK2JAK3

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 USP1 3253/4885ADORA3 1135/4885TLR7 3960/4885

“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.