SCHEMBL13620060

SCHEMBL13620060

NCCCCNc1ncc2[nH]c(=O)n(Cc3cc(F)ccc3C(F)(F)F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
JAK3 P52333 3/20 0.42
GAK O14976 1/20 0.37
ABL1 P00519 1/20 0.37
EPHA1 P21709 1/20 0.37
EPHA2 P29317 1/20 0.37
EPHA3 P29320 1/20 0.37
EPHB2 P29323 1/20 0.37
MAPK8 P45983 1/20 0.37
EPHB3 P54753 1/20 0.37
EPHB4 P54760 1/20 0.37
EPHB1 P54762 1/20 0.37
EPHA4 P54764 1/20 0.37
SIK1 P57059 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
SIK3 Q9Y2K2 1/20 0.37
STK17A Q9UEE5 3/20 0.37
STK17B O94768 2/20 0.37
DYRK1B Q9Y463 1/20 0.36
SYK P43405 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
SCHEMBL12371669 0.97 JAK2 (0.42) JAK2JAK3GAKABL1EPHA1
SCHEMBL12371713 0.87 JAK2 (0.45) JAK2JAK3GAKABL1EPHA1
SCHEMBL13620255 0.86 JAK2 (0.40) JAK2JAK3DDR1MAP4K1GRIN1
SCHEMBL12371672 0.85 ADORA2A (0.43) JAK2JAK3STK17ASYKCHEK1
SCHEMBL13608317 0.85 JAK2 (0.43) JAK2JAK3GAKABL1EPHA1
SCHEMBL13620513 0.85 JAK2 (0.45) JAK2JAK3GAKABL1EPHA1
SCHEMBL13620265 0.84 POLB (0.44) JAK2JAK3
SCHEMBL13620251 0.83 JAK2 (0.43) JAK2JAK3STK17ASYKCHEK1
SCHEMBL13620065 0.82 TRAP1 (0.42) JAK2JAK3SIK1SIK2SIK3
SCHEMBL12371712 0.82 JAK2 (0.43) JAK2JAK3GAKABL1EPHA1

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 JAK2 1072/4885JAK3 1062/4885GAK 391/4885

“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.