SCHEMBL13620302

SCHEMBL13620302

N[C@H]1CC[C@@H](CNc2ccc3[nH]c(=O)n(Cc4ccccc4OC(F)(F)F)c3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
PRKCQ Q04759 1/20 0.41
BRD4 O60885 1/20 0.39
PIM1 P11309 5/20 0.37
FLT3 P36888 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.37
ADORA2A P29274 1/20 0.36
DCPS Q96C86 1/20 0.36
BIRC2 Q13490 1/20 0.36
C5AR1 P21730 1/20 0.35
USP1 O94782 1/20 0.35
MGLL Q99685 1/20 0.35
DDR1 Q08345 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL13620277 0.87 PIM1 (0.42) DPP4PRKCQBRD4PIM1FLT3
SCHEMBL13620042 0.87 PRKCQ (0.49) DPP4PRKCQBRD4HSD17B13ADORA2A
SCHEMBL13620400 0.77 PRKCQ (0.46) DPP4PRKCQBRD4PIM1FLT3
SCHEMBL13620236 0.77 PIM1 (0.42) BRD4PIM1FLT3KCNH2PIM3
SCHEMBL13620392 0.77 DDR1 (0.42) PIM1FLT3KCNH2PIM3PIM2
SCHEMBL13620261 0.76 DDR1 (0.44) PRKCQDDR1
SCHEMBL13620044 0.76 MCHR1 (0.46) DPP4PRKCQADORA2AUSP1DDR1
SCHEMBL13620209 0.76 DDR1 (0.44) PRKCQDDR1
SCHEMBL13620032 0.76 MCHR1 (0.46) DPP4PRKCQADORA2AUSP1DDR1
SCHEMBL13620031 0.75 BRD4 (0.44) DPP4PRKCQBRD4HSD17B13ADORA2A

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 1 patent. 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

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 DPP4 3354/4885PRKCQ 3/4885BRD4 1920/4885

“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.