SCHEMBL3847751

SCHEMBL3847751

O=C(O)N1CCC(CNc2ncc3[nH]c(=O)n(Cc4cc(-c5ccccc5)ccc4OC(F)(F)F)c3n2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.37
ADRA2A P08913 4/20 0.37
NPY5R Q15761 4/20 0.37
CALCRL Q16602 1/20 0.35
USP1 O94782 4/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GRIN2B Q13224 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2C9 P11712 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP2J2 P51589 1/20 0.34
MGLL Q99685 1/20 0.34
DPP4 P27487 1/20 0.34
PRKCQ Q04759 1/20 0.34
DDR1 Q08345 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL13608065 0.95 MCHR1 (0.36) MCHR1ADRA2ANPY5RCALCRLUSP1
SCHEMBL13608062 0.92 PARP1 (0.42) MCHR1ADRA2ANPY5RUSP1BRD4
SCHEMBL3846914 0.90 MCHR1 (0.42) MCHR1ADRA2ANPY5REPHX2DDR1
SCHEMBL3851160 0.87 ADORA3 (0.38) USP1GRIN2BADORA3
SCHEMBL3845548 0.86 TRIM58 (0.40) MCHR1ADRA2ANPY5RUSP1ADORA2A
SCHEMBL3845553 0.86 TRIM58 (0.40) MCHR1ADRA2ANPY5RUSP1ADORA2A
SCHEMBL13608049 0.84 GPR6 (0.36) USP1GRIN2BADORA3
SCHEMBL13608053 0.84 MCHR1 (0.40) MCHR1ADRA2ANPY5REPHX2DDR1
SCHEMBL13608056 0.82 IDO1 (0.46) MCHR1ADRA2ANPY5RUSP1BRD4
SCHEMBL13620496 0.81 PRKCQ (0.38) MCHR1ADRA2ANPY5RUSP1ADORA2A

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 MCHR1 3804/4885ADRA2A 461/4885NPY5R 3514/4885

“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.