SCHEMBL13620045

SCHEMBL13620045

COc1ccc(C2CCCCC2)cc1Cn1c(=O)[nH]c2cnc(NC[C@@H]3CCNC3)nc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.38
TRIM58 Q8NG06 1/20 0.37
MAP3K11 Q16584 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
PDE4B Q07343 1/20 0.35
KDM1A O60341 3/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
MTOR P42345 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CDK4 P11802 1/20 0.34
USP1 O94782 4/20 0.34

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
SCHEMBL13620511 0.91 TRIM58 (0.37) CAMK2DTRIM58KDM1ABRD4ATAD2
SCHEMBL13608264 0.88 KDM1A (0.39) MAP3K11KDM1ABRD4ATAD2EHMT2
SCHEMBL12371670 0.86 MTOR (0.47) MTORUSP1
SCHEMBL13608325 0.86 MTOR (0.47) MTORUSP1
SCHEMBL13620418 0.86 KDM1A (0.40) MAP3K11KDM1ABRD4ATAD2EHMT2
SCHEMBL13620259 0.83 KDM1A (0.41) MAP3K11KDM1AMTORUSP1
SCHEMBL12371725 0.81 MTOR (0.49) MTOR
SCHEMBL13608154 0.80 USP1 (0.39) MAP3K11KDM1ABRD4ATAD2CDK4
SCHEMBL13620230 0.80 BRD4 (0.37) KDM1ABRD4ATAD2CDK4USP1
SCHEMBL13608292 0.79 ADORA2A (0.40) MAP3K11KDM1ABRD4ATAD2USP1

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 CAMK2D 84/4885TRIM58 4267/4885MAP3K11 243/4885

“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.