SCHEMBL13620278

SCHEMBL13620278

O=c1[nH]c2cnc(NCc3ccn[nH]3)nc2n1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.41
USP1 O94782 7/20 0.39
MTOR P42345 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
DPP4 P27487 1/20 0.36
PRKCQ Q04759 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
TRPC5 Q9UL62 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP2J2 P51589 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
SCHEMBL13620495 0.88 DDR1 (0.38) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL12371675 0.82 BRD4 (0.43) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620514 0.82 BRD4 (0.43) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620073 0.82 BRD4 (0.45) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620415 0.81 HRH4 (0.45) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620075 0.80 BRD4 (0.43) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620400 0.80 PRKCQ (0.46) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620042 0.79 PRKCQ (0.49) BRD4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13620406 0.79 POLB (0.41) BRD4HSD17B13USP1DPP4
SCHEMBL12371632 0.78 PRKCQ (0.43) 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.