SCHEMBL13620073

SCHEMBL13620073

CN(C)CCNc1ncc2[nH]c(=O)n(Cc3ccccc3OC(F)(F)F)c2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
USP1 O94782 6/20 0.39
MTOR P42345 1/20 0.39
DPP4 P27487 1/20 0.39
TLR7 Q9NYK1 4/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPK7 Q13164 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL12371675 0.87 BRD4 (0.43) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620291 0.86 USP1 (0.41) ADORA2AADORA1USP1TLR7ADORA3
SCHEMBL13620514 0.86 BRD4 (0.43) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL12371755 0.85 ADORA2A (0.46) ADORA2AADORA1USP1TLR7ADORA3
SCHEMBL13608397 0.84 ADORA3 (0.44) BRD4ADORA2AADORA1USP1TLR7
SCHEMBL12371731 0.83 USP1 (0.44) ADORA2AADORA1USP1TLR7ADORA3
SCHEMBL13620415 0.83 HRH4 (0.45) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620075 0.83 BRD4 (0.43) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620208 0.82 BRD4 (0.40) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620278 0.82 BRD4 (0.42) BRD4HDAC3HDAC1HDAC2HDAC6

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 1920/4885HDAC3 2125/4885HDAC1 1563/4885

“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.