SCHEMBL13608282

SCHEMBL13608282

Cc1ccccc1Cn1c(=O)[nH]c2ccc(NC[C@@H]3CCNC3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
ATAD2 Q6PL18 3/20 0.42
BIRC2 Q13490 1/20 0.41
POLB P06746 2/20 0.41
PRMT5 O14744 1/20 0.38
PIM1 P11309 3/20 0.36
PIM3 Q86V86 1/20 0.36
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
DRD2 P14416 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
USP1 O94782 1/20 0.36
CDK1 P06493 1/20 0.35
CCNE1 P24864 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
SCHEMBL13620505 0.87 ADORA2A (0.41) BIRC2PRMT5PIM1PIM3CHRM1
SCHEMBL13608122 0.86 BRD4 (0.42) BRD4ATAD2POLBUSP1CCNE1
SCHEMBL12399644 0.86 BRD4 (0.42) BRD4ATAD2POLBUSP1CCNE1
SCHEMBL13620277 0.85 PIM1 (0.42) BRD4BIRC2PRMT5PIM1PIM3
SCHEMBL2269378 0.83 BIRC2 (0.39) BRD4ATAD2BIRC2PRMT5PIM1
SCHEMBL2274339 0.83 BIRC2 (0.39) BRD4ATAD2BIRC2PRMT5PIM1
SCHEMBL2269372 0.83 BIRC2 (0.39) BRD4ATAD2BIRC2PRMT5PIM1
SCHEMBL13608271 0.83 CCNT1 (0.39) BRD4ATAD2BIRC2
SCHEMBL13608471 0.83 BRD4 (0.42) BRD4ATAD2POLBCHRM1CHRM2
SCHEMBL13608342 0.81 BIRC2 (0.40) BRD4ATAD2BIRC2PRMT5PIM1

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 BRD4 1920/4885ATAD2 3413/4885BIRC2 3601/4885

“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.