SCHEMBL3854340

SCHEMBL3854340

Cc1c(I)cccc1CNc1nc(NCC2CCN(C(=O)O)C2)ncc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 20/20 0.55
CYP3A4 P08684 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2D6 P10635 3/20 0.49
MAP4K4 O95819 2/20 0.47
CDK1 P06493 2/20 0.47
PIM1 P11309 2/20 0.47
CDK2 P24941 2/20 0.47
CSNK1D P48730 2/20 0.47
CLK2 P49760 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
IRAK1 P51617 2/20 0.47
RPS6KA3 P51812 2/20 0.47
CDK5 Q00535 2/20 0.47
PRKCD Q05655 2/20 0.47
PRKAA1 Q13131 2/20 0.47
STK3 Q13188 2/20 0.47
CAMK2B Q13554 2/20 0.47
CAMK2G Q13555 2/20 0.47

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
SCHEMBL13608083 0.90 PRKCQ (0.51) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL3845823 0.87 PRKCQ (0.41) PRKCQ
SCHEMBL3852615 0.84 PRKCQ (0.53) PRKCQ
SCHEMBL3843907 0.80 PRKCQ (0.56) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL19665592 0.77 PRKCQ (0.54) PRKCQCYP3A4CYP2C9CYP2D6
SCHEMBL13608085 0.77 SYK (0.44) PRKCQCDK2IRAK1CDK5
SCHEMBL3844891 0.76 PRKCQ (0.54) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL3848020 0.76 USP1 (0.37)
SCHEMBL3851131 0.75 PRKCQ (0.49) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4
SCHEMBL3851129 0.75 PRKCQ (0.49) PRKCQCYP3A4CYP2C9CYP2D6MAP4K4

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 3/4885CYP3A4 2136/4885CYP2C9 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.