SCHEMBL13608151

SCHEMBL13608151

Cc1ccccc1Cn1c(=O)[nH]c2cnc(NCCC3CNCN3)nc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
POLB P06746 2/20 0.37
USP1 O94782 9/20 0.36
MAP4K1 Q92918 1/20 0.36
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
TLR7 Q9NYK1 1/20 0.34
PCSK9 Q8NBP7 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PRKDC P78527 1/20 0.33

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
SCHEMBL12398979 0.86 POLB (0.41) ADORA3POLBUSP1MAP4K1JAK2
SCHEMBL13620208 0.85 BRD4 (0.40) ADORA3USP1JAK2JAK3
SCHEMBL13608397 0.81 ADORA3 (0.44) ADORA3USP1TLR7
SCHEMBL12371711 0.81 ADORA3 (0.44) ADORA3POLBUSP1JAK2JAK3
SCHEMBL13608357 0.80 ADORA3 (0.43) ADORA3POLBUSP1JAK2JAK3
SCHEMBL13608122 0.80 BRD4 (0.42) ADORA3POLBUSP1
SCHEMBL12399644 0.80 BRD4 (0.42) ADORA3POLBUSP1
SCHEMBL12371750 0.79 RIPK2 (0.42) ADORA3POLBUSP1TLR7
SCHEMBL14024113 0.79 ADORA3 (0.49) ADORA3POLBUSP1JAK2JAK3
SCHEMBL13608319 0.78 BRD4 (0.44) ADORA3POLBUSP1

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 ADORA3 1135/4885POLB 821/4885USP1 3253/4885

“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.