SCHEMBL13620074

SCHEMBL13620074

CN(C)CCNc1ncc2[nH]c(=O)n(Cc3c(F)cccc3C(F)(F)F)c2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.50
ADORA1 P30542 4/20 0.50
JAK2 O60674 4/20 0.43
JAK3 P52333 4/20 0.43
TLR7 Q9NYK1 1/20 0.39
MAP4K1 Q92918 1/20 0.39
KAT2B Q92831 2/20 0.38
USP1 O94782 6/20 0.38
SYK P43405 1/20 0.38
CDK2 P24941 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 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
SCHEMBL12371666 0.88 JAK2 (0.44) ADORA2AADORA1JAK2JAK3MAP4K1
SCHEMBL13608362 0.88 ADORA2A (0.51) ADORA2AADORA1JAK2JAK3USP1
SCHEMBL13620251 0.87 JAK2 (0.43) ADORA2AADORA1JAK2JAK3TLR7
SCHEMBL12371755 0.83 ADORA2A (0.46) ADORA2AADORA1JAK2JAK3TLR7
SCHEMBL13608364 0.82 JAK2 (0.46) ADORA2AADORA1JAK2JAK3TLR7
SCHEMBL13620430 0.81 QPCT (0.43) JAK2JAK3
SCHEMBL12371732 0.79 ADORA2A (0.42) ADORA2AADORA1JAK2JAK3TLR7
SCHEMBL13620291 0.79 USP1 (0.41) ADORA2AADORA1TLR7USP1SYK
SCHEMBL12371634 0.79 ADORA2A (0.42) ADORA2AADORA1JAK2JAK3MAP4K1
SCHEMBL12371644 0.79 ADORA2A (0.42) ADORA2AADORA1JAK2JAK3MAP4K1

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 ADORA2A 975/4885ADORA1 1091/4885JAK2 1072/4885

“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.