SCHEMBL3854077

SCHEMBL3854077

O=C(O)N1CCC(CNc2cc(NCc3ccccc3OC(F)(F)F)c([N+](=O)[O-])cn2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.53
EPHX2 P34913 5/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2J2 P51589 3/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.37
MGLL Q99685 1/20 0.37
NTRK1 P04629 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
DCLK1 O15075 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL3854069 1.00 PRKCQ (0.53) PRKCQEPHX2CYP2C9CYP2J2HDAC3
SCHEMBL13608038 0.91 PRKCQ (0.50) PRKCQEPHX2CYP2C9CYP2J2PIM1
SCHEMBL3849434 0.88 EPHX2 (0.44) PRKCQEPHX2CYP2C9CYP2J2HDAC3
SCHEMBL3987270 0.84 PRKCQ (0.51) PRKCQEPHX2CYP2C9CYP2J2PIM1
SCHEMBL3849783 0.83 PRKCQ (0.51) PRKCQCYP2C9SIRT5DCLK1MAP4K4
SCHEMBL3849789 0.83 PRKCQ (0.51) PRKCQCYP2C9SIRT5DCLK1MAP4K4
SCHEMBL13846611 0.81 PRKCQ (0.60) PRKCQCYP2C9HDAC3HDAC1HDAC2
SCHEMBL13846604 0.81 PRKCQ (0.60) PRKCQCYP2C9HDAC3HDAC1HDAC2
SCHEMBL3987239 0.80 PRKCQ (0.55) PRKCQCYP2C9HDAC3HDAC1HDAC2
SCHEMBL3992368 0.80 PRKCQ (0.55) PRKCQCYP2C9HDAC3HDAC1HDAC2

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 3/4885EPHX2 1887/4885CYP2C9 1991/4885

“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.