SCHEMBL3847762

SCHEMBL3847762

Nc1cnc(NCC2CCN(C(=O)O)C2)nc1NCc1cccc(I)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.45
ADORA3 P0DMS8 6/20 0.44
VNN1 O95497 2/20 0.41
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NTRK1 P04629 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL13608070 0.88 IRAK1 (0.43) GRIN2BADORA3
SCHEMBL3852615 0.87 PRKCQ (0.53)
SCHEMBL3845823 0.83 PRKCQ (0.41) GRIN2BVNN1
SCHEMBL3852089 0.79 PRKCQ (0.42) GRIN2BVNN1CDK1CDK2NTRK1
SCHEMBL3844922 0.77 GRIN2B (0.41) GRIN2BADORA3VNN1
SCHEMBL13608069 0.76 PRKCQ (0.50)
SCHEMBL19665574 0.75 MAPK8 (0.40) GRIN2BADORA3
SCHEMBL3849773 0.74 PRKCQ (0.41)
SCHEMBL3851085 0.73 PRKCQ (0.39) GRIN2BCDK2
SCHEMBL13608085 0.73 SYK (0.44) GRIN2BCDK2

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 GRIN2B 953/4885ADORA3 1135/4885VNN1 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.