SCHEMBL13608019

SCHEMBL13608019

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.46
CCNT1 O60563 2/20 0.43
CDK9 P50750 1/20 0.43
IDO1 P14902 2/20 0.42
TDO2 P48775 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 2/20 0.41
IRAK1 P51617 2/20 0.40
DCLK1 O15075 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
MATK P42679 1/20 0.40
FRK P42685 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40

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
SCHEMBL3849789 0.89 PRKCQ (0.51) PRKCQCYP3A4CYP2C9CYP2D6IRAK1
SCHEMBL3849783 0.89 PRKCQ (0.51) PRKCQCYP3A4CYP2C9CYP2D6IRAK1
SCHEMBL13608017 0.88 CCNT1 (0.45) CCNT1CDK9IDO1TDO2IRAK1
SCHEMBL13608038 0.86 PRKCQ (0.50) PRKCQCCNT1CDK9IDO1TDO2
SCHEMBL3987270 0.78 PRKCQ (0.51) PRKCQCYP2C9PIM1METACHE
SCHEMBL2269808 0.78 CCNT1 (0.47) PRKCQCCNT1CDK9IDO1TDO2
SCHEMBL2269805 0.78 CCNT1 (0.47) PRKCQCCNT1CDK9IDO1TDO2
SCHEMBL13608018 0.78 PARP1 (0.50) CCNT1CDK9IDO1TDO2IRAK1
SCHEMBL13608030 0.77 SIRT5 (0.46) PRKCQIDO1CYP3A4
SCHEMBL19665598 0.76 IDO1 (0.47) PRKCQCCNT1CDK9IDO1TDO2

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 PRKCQ 3/4885CCNT1 1707/4885CDK9 355/4885

“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.