SCHEMBL13620239

SCHEMBL13620239

NCCCNc1ncc2[nH]c(=O)n(Cc3cc(C(F)(F)F)ccc3Cl)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 3/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90B1 P14625 1/20 0.54
SIK1 P57059 1/20 0.45
SIK2 Q9H0K1 1/20 0.45
SIK3 Q9Y2K2 1/20 0.45
SYK P43405 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
USP1 O94782 1/20 0.38
CTSC P53634 1/20 0.37
STK17B O94768 2/20 0.37
STK17A Q9UEE5 2/20 0.37
DDR1 Q08345 7/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 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
SCHEMBL13620065 0.91 TRAP1 (0.42) TRAP1HSP90AA1HSP90B1SIK1SIK2
SCHEMBL13608317 0.88 JAK2 (0.43) TRAP1HSP90AA1HSP90B1SIK1SIK2
SCHEMBL12371649 0.88 HSP90AA1 (0.42) TRAP1HSP90AA1HSP90B1SIK1SIK2
SCHEMBL13608502 0.86 TLR7 (0.44) TRAP1HSP90AA1HSP90B1SIK1SIK2
SCHEMBL13608311 0.85 SIK2 (0.42) TRAP1HSP90AA1HSP90B1SIK1SIK2
SCHEMBL12371737 0.85 SYK (0.48) SYKADORA2BUSP1CTSC
SCHEMBL12371660 0.84 PRKCQ (0.46) SIK1SIK2SIK3ADORA3USP1
SCHEMBL13608329 0.83 HSP90AA1 (0.52) TRAP1HSP90AA1HSP90B1SIK1SIK2
SCHEMBL13608414 0.83 HSP90AA1 (0.40) TRAP1HSP90AA1HSP90B1SIK1SIK2
SCHEMBL12371672 0.82 ADORA2A (0.43) SYKADORA3ADORA2ASTK17ATLR7

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 TRAP1 2493/4885HSP90AA1 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.