SCHEMBL13620075

SCHEMBL13620075

CC(CN)CNc1ncc2[nH]c(=O)n(Cc3ccccc3OC(F)(F)F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
DPP4 P27487 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP1 O94782 8/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39
MTOR P42345 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
PRKCQ Q04759 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
PDE9A O76083 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL13620404 0.87 USP1 (0.40) USP1ADORA3JAK2JAK3
SCHEMBL12371675 0.85 BRD4 (0.43) BRD4DPP4HDAC3HDAC1HDAC2
SCHEMBL13608405 0.85 USP1 (0.43) USP1ADORA3
SCHEMBL13620514 0.84 BRD4 (0.43) BRD4DPP4HDAC3HDAC1HDAC2
SCHEMBL13620073 0.83 BRD4 (0.45) BRD4DPP4HDAC3HDAC1HDAC2
SCHEMBL13620278 0.80 BRD4 (0.42) BRD4DPP4HDAC3HDAC1HDAC2
SCHEMBL13620042 0.80 PRKCQ (0.49) BRD4DPP4HDAC3HDAC1HDAC2
SCHEMBL13620400 0.79 PRKCQ (0.46) BRD4DPP4HDAC3HDAC1HDAC2
SCHEMBL13620415 0.78 HRH4 (0.45) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL12371632 0.78 PRKCQ (0.43) BRD4DPP4HDAC3HDAC1HDAC2

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 BRD4 1920/4885DPP4 3354/4885HDAC3 2125/4885

“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.