SCHEMBL22326808

SCHEMBL22326808

CC(N)n1cc(F)c2c(=O)[nH]c(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMS P04818 11/20 0.41
PDE2A O00408 2/20 0.38
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
RICTOR Q6R327 1/20 0.35
RPTOR Q8N122 1/20 0.35
MAPKAP1 Q9BPZ7 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
XDH P47989 1/20 0.34
DHFR P00374 2/20 0.34
HPRT1 P00492 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL18520027 0.90 TYMS (0.42) TYMSPDE2APIK3CAMTORRICTOR
SCHEMBL24971314 0.83 DHFR (0.39) TYMSPDE2APIK3CAMTORRICTOR
SCHEMBL18520802 0.79 TYMS (0.44) TYMSXDHDHFR
SCHEMBL25809396 0.78 PARP1 (0.39) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL21137421 0.77 TYMS (0.46) TYMSXDH
SCHEMBL23679500 0.76 TYMS (0.44) TYMSXDH
SCHEMBL23476717 0.75 TYMS (0.42) TYMSPDE2AXDHDHFR
SCHEMBL20326889 0.75 TYMS (0.42) TYMSPDE2ADHFRMEN1KMT2A
SCHEMBL24236939 0.75 TYMS (0.42) TYMSXDHDHFR
SCHEMBL21127781 0.74 TYMS (0.40) TYMSPDE2APIK3CAMTORRICTOR

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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 TYMS 1755/4885PDE2A 168/4885PIK3CA 2328/4885

“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.