SCHEMBL13620432

SCHEMBL13620432

NCCCNc1ncc2[nH]c(=O)n(Cc3cc(O)ccc3F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.42
HSP90B1 P14625 3/20 0.42
TRAP1 Q12931 3/20 0.42
JAK2 O60674 4/20 0.39
JAK3 P52333 4/20 0.39
TLR7 Q9NYK1 6/20 0.37
MTOR P42345 3/20 0.36
USP1 O94782 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
GAK O14976 1/20 0.34
ABL1 P00519 1/20 0.34
EPHA1 P21709 1/20 0.34
EPHA2 P29317 1/20 0.34
EPHA3 P29320 1/20 0.34
EPHB2 P29323 1/20 0.34
MAPK8 P45983 1/20 0.34
EPHB3 P54753 1/20 0.34
EPHB4 P54760 1/20 0.34

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
SCHEMBL12371713 0.90 JAK2 (0.45) HSP90AA1HSP90B1TRAP1JAK2JAK3
SCHEMBL13608329 0.90 HSP90AA1 (0.52) HSP90AA1HSP90B1TRAP1JAK2JAK3
SCHEMBL13608439 0.89 TLR7 (0.43) HSP90AA1HSP90B1TRAP1JAK2JAK3
SCHEMBL13620065 0.87 TRAP1 (0.42) HSP90AA1HSP90B1TRAP1JAK2JAK3
SCHEMBL12371703 0.86 JAK2 (0.44) JAK2JAK3TLR7USP1ADORA3
SCHEMBL13620069 0.85 DDR1 (0.38) HSP90AA1HSP90B1TRAP1JAK2JAK3
SCHEMBL13608216 0.83 CDK2 (0.40) JAK2JAK3TLR7MTORUSP1
SCHEMBL12371712 0.83 JAK2 (0.43) HSP90AA1HSP90B1TRAP1JAK2JAK3
SCHEMBL12371691 0.83 JAK2 (0.54) JAK2JAK3TLR7USP1ADORA3
SCHEMBL13620513 0.82 JAK2 (0.45) JAK2JAK3TLR7USP1ADORA3

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 HSP90AA1 3427/4885HSP90B1 2327/4885TRAP1 2493/4885

“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.