SCHEMBL13620058

SCHEMBL13620058

NCCCNc1ncc2[nH]c(=O)n(Cc3cc(Br)ccc3OC(F)(F)F)c2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 4/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
TLR7 Q9NYK1 5/20 0.34
JAK2 O60674 3/20 0.34
JAK3 P52333 3/20 0.34
MCHR1 Q99705 2/20 0.34
SIK1 P57059 2/20 0.34
SIK2 Q9H0K1 2/20 0.34
SIK3 Q9Y2K2 2/20 0.34
ADRA2A P08913 1/20 0.34
NPY5R Q15761 1/20 0.34
BRD4 O60885 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL13845184 0.88 DDR1 (0.45) DDR1HSP90AA1HSP90B1TRAP1MCHR1
SCHEMBL12371675 0.88 BRD4 (0.43) TLR7JAK2JAK3BRD4HSD17B13
SCHEMBL13620486 0.88 DDR1 (0.39) DDR1HSP90AA1HSP90B1TRAP1TLR7
SCHEMBL13620040 0.86 DDR1 (0.38) DDR1HSP90AA1HSP90B1TRAP1TLR7
SCHEMBL13620384 0.86 DDR1 (0.39) DDR1HSP90AA1HSP90B1TRAP1TLR7
SCHEMBL13620514 0.85 BRD4 (0.43) TLR7JAK2JAK3BRD4HSD17B13
SCHEMBL13620188 0.85 MCHR1 (0.46) DDR1MCHR1ADRA2ANPY5R
SCHEMBL13620361 0.84 DDR1 (0.39) DDR1HSP90AA1HSP90B1TRAP1JAK2
SCHEMBL13620047 0.84 DDR1 (0.37) DDR1HSP90AA1HSP90B1TRAP1TLR7
SCHEMBL13620495 0.84 DDR1 (0.38) DDR1HSP90AA1HSP90B1TRAP1JAK2

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 DDR1 3201/4885HSP90AA1 3427/4885HSP90B1 2327/4885

“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.