SCHEMBL13620069

SCHEMBL13620069

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
TRAP1 Q12931 1/20 0.37
BRD4 O60885 1/20 0.37
JAK2 O60674 4/20 0.36
JAK3 P52333 4/20 0.36
MERTK Q12866 1/20 0.36
SCN9A Q15858 1/20 0.35
TLR7 Q9NYK1 3/20 0.35
SYK P43405 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
USP1 O94782 2/20 0.34
ADRB2 P07550 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ALKBH1 Q13686 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
SCHEMBL13620065 0.87 TRAP1 (0.42) DDR1HSP90AA1HSP90B1TRAP1JAK2
SCHEMBL12371713 0.86 JAK2 (0.45) HSP90AA1HSP90B1TRAP1JAK2JAK3
SCHEMBL13608329 0.86 HSP90AA1 (0.52) HSP90AA1HSP90B1TRAP1JAK2JAK3
SCHEMBL13608439 0.85 TLR7 (0.43) HSP90AA1HSP90B1TRAP1JAK2JAK3
SCHEMBL13620432 0.85 HSP90AA1 (0.42) HSP90AA1HSP90B1TRAP1JAK2JAK3
SCHEMBL12371675 0.84 BRD4 (0.43) BRD4JAK2JAK3TLR7USP1
SCHEMBL13620058 0.83 DDR1 (0.39) DDR1HSP90AA1HSP90B1TRAP1BRD4
SCHEMBL12371703 0.82 JAK2 (0.44) JAK2JAK3TLR7GRIN1GRIN2B
SCHEMBL13620514 0.82 BRD4 (0.43) BRD4JAK2JAK3TLR7SYK
SCHEMBL13620429 0.81 PIM1 (0.36) DDR1BRD4JAK2JAK3GRIN1

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.