SCHEMBL3844925

SCHEMBL3844925

O=[N+]([O-])c1cnc(Br)cc1NCc1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 10/20 0.52
MAPT P10636 4/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2D6 P10635 2/20 0.42
CDK1 P06493 2/20 0.42
DCLK1 O15075 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
MATK P42679 1/20 0.42
FRK P42685 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42

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
SCHEMBL19739012 0.77 PRKCQ (0.55) PRKCQMAPTMAPK1L3MBTL1CYP3A4
SCHEMBL3855406 0.76 PRKCQ (0.54) PRKCQMAPTMAPK1L3MBTL1TDO2
SCHEMBL3848050 0.75 PRKCQ (0.44) PRKCQMAPTMAPK1L3MBTL1CYP3A4
SCHEMBL3984172 0.74 PRKCQ (0.60) PRKCQMAPTMAPK1L3MBTL1CYP3A4
SCHEMBL3987070 0.74 PRKCQ (0.70) PRKCQCYP3A4CYP2C9CYP2D6CDK1
SCHEMBL5065720 0.73 MAPT (0.45) MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL13608030 0.72 SIRT5 (0.46) PRKCQMAPTMAPK1L3MBTL1CYP3A4
SCHEMBL3952581 0.71 POLB (0.56) PRKCQMAPTMAPK1MEN1KMT2A
SCHEMBL15054914 0.71 MAPT (0.55) PRKCQMAPTMAPK1L3MBTL1CYP3A4
SCHEMBL1396917 0.71 NPC1 (0.56) PRKCQMAPTL3MBTL1CDK2GSK3A

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 5 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
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
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
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 3/4885MAPT 3754/4885MAPK1 374/4885

“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.