SCHEMBL22255165

SCHEMBL22255165

CCNCC1CNC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.39
PDCD1LG2 Q9BQ51 2/20 0.39
PDCD1 Q15116 7/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SYK P43405 2/20 0.35
SAT1 P21673 1/20 0.33
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
RORC P51449 1/20 0.31
IL17A Q16552 1/20 0.31
ACACB O00763 1/20 0.31
FEN1 P39748 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL8222739 0.85 CD274 (0.38) CD274PDCD1LG2PDCD1MTNR1AMTNR1B
SCHEMBL23557638 0.80 CD274 (0.37) CD274PDCD1LG2PDCD1MTNR1AMTNR1B
SCHEMBL12235369 0.80
SCHEMBL10196261 0.80
SCHEMBL18305999 0.78 MTNR1A (0.57) CD274PDCD1LG2PDCD1MTNR1AMTNR1B
SCHEMBL18656078 0.77
SCHEMBL1115312 0.77
SCHEMBL13415961 0.77
SCHEMBL17210759 0.76
SCHEMBL18233591 0.76 TSHR (0.34) CD274PDCD1LG2PDCD1MTNR1AMTNR1B

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-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 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-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 CD274 2811/4885PDCD1LG2 1781/4885PDCD1 1985/4885

“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.