SCHEMBL13608397

SCHEMBL13608397

Cc1ccccc1Cn1c(=O)[nH]c2cnc(NCCN(C)C)nc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
USP1 O94782 9/20 0.43
TLR7 Q9NYK1 7/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38

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
SCHEMBL12371755 0.89 ADORA2A (0.46) ADORA3USP1TLR7ADORA2AADORA1
SCHEMBL12371731 0.89 USP1 (0.44) ADORA3USP1TLR7ADORA2AADORA1
SCHEMBL13620291 0.87 USP1 (0.41) ADORA3USP1TLR7ADORA2AADORA1
SCHEMBL12371711 0.86 ADORA3 (0.44) ADORA3USP1TLR7
SCHEMBL13608375 0.85 USP1 (0.41) ADORA3USP1TLR7ADORA2AADORA1
SCHEMBL13608357 0.85 ADORA3 (0.43) ADORA3USP1TLR7
SCHEMBL12371732 0.85 ADORA2A (0.42) ADORA3USP1TLR7ADORA2AADORA1
SCHEMBL13620073 0.84 BRD4 (0.45) ADORA3USP1TLR7ADORA2AADORA1
SCHEMBL14024113 0.84 ADORA3 (0.49) ADORA3USP1
SCHEMBL12371720 0.83 TLR7 (0.43) ADORA3USP1TLR7

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 1135/4885USP1 3253/4885TLR7 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.