SCHEMBL3848050

SCHEMBL3848050

NC(=O)OCCCNc1cc(NCc2cccc(Cl)c2Cl)c([N+](=O)[O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.44
CD38 P28907 4/20 0.43
CYP3A4 P08684 2/20 0.43
SIRT5 Q9NXA8 2/20 0.42
MAPT P10636 4/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 1/20 0.37
DCLK1 O15075 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
CYP2D6 P10635 1/20 0.37
PIM1 P11309 1/20 0.37
CYP2C9 P11712 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
MATK P42679 1/20 0.37

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
SCHEMBL3844951 0.86 CD38 (0.44) CD38CYP3A4
SCHEMBL13608030 0.81 SIRT5 (0.46) PRKCQCD38CYP3A4SIRT5MAPT
SCHEMBL3844925 0.75 PRKCQ (0.52) PRKCQCD38CYP3A4MAPTMAPK1
SCHEMBL3987070 0.73 PRKCQ (0.70) PRKCQCYP3A4CDK5DCLK1MAP4K4
SCHEMBL3849789 0.72 PRKCQ (0.51) PRKCQCD38CYP3A4SIRT5MAPT
SCHEMBL3849783 0.72 PRKCQ (0.51) PRKCQCD38CYP3A4SIRT5MAPT
SCHEMBL3984172 0.71 PRKCQ (0.60) PRKCQCYP3A4MAPTMAPK1L3MBTL1
SCHEMBL13608019 0.70 PRKCQ (0.46) PRKCQCYP3A4CDK5DCLK1MAP4K4
SCHEMBL28646251 0.69 L3MBTL1 (0.49) PRKCQSIRT5MAPTL3MBTL1
SCHEMBL13608027 0.68 STK17B (0.46) CD38CYP3A4MEN1KMT2APIM1

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 3/4885CD38 1196/4885CYP3A4 2136/4885

“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.