SCHEMBL13620042

SCHEMBL13620042

N[C@H]1CC[C@@H](CNc2ncc3[nH]c(=O)n(Cc4ccccc4OC(F)(F)F)c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.49
DPP4 P27487 1/20 0.45
BRD4 O60885 1/20 0.42
USP1 O94782 2/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
MCHR1 Q99705 4/20 0.40
ADRA2A P08913 3/20 0.40
NPY5R Q15761 3/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
DCPS Q96C86 1/20 0.37

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
SCHEMBL13620400 0.91 PRKCQ (0.46) PRKCQDPP4BRD4USP1ADORA2A
SCHEMBL13620209 0.89 DDR1 (0.44) PRKCQMCHR1ADRA2ANPY5R
SCHEMBL13620261 0.89 DDR1 (0.44) PRKCQMCHR1ADRA2ANPY5R
SCHEMBL13620044 0.89 MCHR1 (0.46) PRKCQDPP4USP1ADORA2AADORA1
SCHEMBL13620032 0.89 MCHR1 (0.46) PRKCQDPP4USP1ADORA2AADORA1
SCHEMBL12371645 0.88 PRKCQ (0.43) PRKCQDPP4BRD4USP1ADORA2A
SCHEMBL12371632 0.88 PRKCQ (0.43) PRKCQDPP4BRD4USP1ADORA2A
SCHEMBL12371661 0.88 PRKCQ (0.43) PRKCQDPP4BRD4USP1ADORA2A
SCHEMBL13620302 0.87 DPP4 (0.44) PRKCQDPP4BRD4USP1ADORA2A
SCHEMBL13620077 0.86 PRKCQ (0.42) PRKCQDPP4BRD4USP1ADORA2A

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 PRKCQ 3/4885DPP4 3354/4885BRD4 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.