SCHEMBL3845823

SCHEMBL3845823

Cc1c(I)cccc1CNc1nc(NCC2CCN(C(=O)O)C2)ncc1N

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.41
GRIN2B Q13224 9/20 0.40
VNN1 O95497 1/20 0.37
SYK P43405 2/20 0.36
BCDIN3D Q7Z5W3 1/20 0.36
STAT6 P42226 1/20 0.35
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL13608085 0.89 SYK (0.44) PRKCQGRIN2BSYKBCDIN3DJAK3
SCHEMBL3854340 0.87 PRKCQ (0.55) PRKCQ
SCHEMBL3847762 0.83 GRIN2B (0.45) GRIN2BVNN1
SCHEMBL3852089 0.79 PRKCQ (0.42) PRKCQGRIN2BVNN1JAK3BTK
SCHEMBL3848020 0.79 USP1 (0.37) GRIN2BVNN1JAK3
SCHEMBL13608083 0.77 PRKCQ (0.51) PRKCQ
SCHEMBL19665574 0.76 MAPK8 (0.40) PRKCQGRIN2BSYKBCDIN3DJAK3
SCHEMBL3849773 0.75 PRKCQ (0.41) PRKCQ
SCHEMBL13608070 0.74 IRAK1 (0.43) GRIN2BSYKBCDIN3DJAK3
SCHEMBL3851085 0.70 PRKCQ (0.39) PRKCQGRIN2BSYKBCDIN3DBTK

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 3/4885GRIN2B 953/4885VNN1 4098/4885

“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.