SCHEMBL13608017

SCHEMBL13608017

CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(NCc3cccc(Cl)c3Cl)c(N)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.45
CDK9 P50750 1/20 0.45
IDO1 P14902 2/20 0.45
TDO2 P48775 1/20 0.45
IRAK1 P51617 1/20 0.42
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
ACHE P22303 1/20 0.39
MAPK8 P45983 1/20 0.39
DGAT2 Q96PD7 2/20 0.39
STS P08842 1/20 0.39
ACKR3 P25106 1/20 0.38
MAPT P10636 1/20 0.38
IL1B P01584 1/20 0.38
P2RX7 Q99572 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
SCHEMBL13608019 0.88 PRKCQ (0.46) CCNT1CDK9IDO1TDO2IRAK1
SCHEMBL3845255 0.88 PRKCQ (0.40) CCNT1IDO1P2RX7
SCHEMBL13608035 0.85 IDO1 (0.43) CCNT1CDK9IDO1TDO2IRAK1
SCHEMBL13608018 0.80 PARP1 (0.50) CCNT1CDK9IDO1TDO2IRAK1
SCHEMBL3849783 0.76 PRKCQ (0.51) IRAK1ACHEMAPT
SCHEMBL3849789 0.76 PRKCQ (0.51) IRAK1ACHEMAPT
SCHEMBL13608027 0.76 STK17B (0.46)
SCHEMBL30578496 0.74 IDO1 (0.49) IDO1TDO2STS
SCHEMBL29492796 0.74 IDO1 (0.49) IDO1TDO2STS
SCHEMBL3849434 0.74 EPHX2 (0.44)

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 2 patents. 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
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO 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 CCNT1 1707/4885CDK9 355/4885IDO1 3186/4885

“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.