SCHEMBL13620384

SCHEMBL13620384

Nc1ccc(CNc2ncc3[nH]c(=O)n(Cc4cc(Br)ccc4OC(F)(F)F)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

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 0.35
USP1 O94782 3/20 0.34
IL6 P05231 2/20 0.34
MCHR1 Q99705 2/20 0.33
ADRA2A P08913 1/20 0.33
NPY5R Q15761 1/20 0.33
BRD4 O60885 1/20 0.33
ABL1 P00519 1/20 0.33
MAOA P21397 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL13620486 0.93 DDR1 (0.39) DDR1HSP90AA1HSP90B1TRAP1TLR7
SCHEMBL13620047 0.90 DDR1 (0.37) DDR1HSP90AA1HSP90B1TRAP1TLR7
SCHEMBL13620040 0.89 DDR1 (0.38) DDR1HSP90AA1HSP90B1TRAP1TLR7
SCHEMBL13620361 0.89 DDR1 (0.39) DDR1HSP90AA1HSP90B1TRAP1USP1
SCHEMBL13845184 0.87 DDR1 (0.45) DDR1HSP90AA1HSP90B1TRAP1USP1
SCHEMBL13620058 0.86 DDR1 (0.39) DDR1HSP90AA1HSP90B1TRAP1TLR7
SCHEMBL13620495 0.85 DDR1 (0.38) DDR1HSP90AA1HSP90B1TRAP1USP1
SCHEMBL13620197 0.83 DDR1 (0.41) DDR1HSP90AA1HSP90B1TRAP1USP1
SCHEMBL13620377 0.83 DDR1 (0.41) DDR1TLR7USP1IL6MCHR1
SCHEMBL13620044 0.83 MCHR1 (0.46) DDR1USP1MCHR1ADRA2ANPY5R

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.