SCHEMBL22326708

SCHEMBL22326708

CN(C)Cn1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.47
GDA Q9Y2T3 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TK1 P04183 2/20 0.33
TYMP P19971 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
EDNRA P25101 1/20 0.32
HTR2A P28223 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 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
SCHEMBL380137 0.82 PNP (0.50) PNPGDAALDH1A1TK1KMT2A
SCHEMBL7217325 0.81 PNP (0.49) PNPGDAALDH1A1TK1KMT2A
SCHEMBL5054173 0.79 PNP (0.54) PNPGDAALDH1A1KDM4EHPGD
SCHEMBL27586845 0.79 PNP (0.53) PNPGDAALDH1A1TK1USP2
SCHEMBL27573642 0.79 PNP (0.50) PNPGDAALDH1A1TK1TYMP
SCHEMBL4372321 0.78 PNP (0.47) PNPGDAALDH1A1TK1USP2
SCHEMBL60160 0.78 PNP (0.47) PNPGDAALDH1A1KDM4EHTR2A
SCHEMBL9386892 0.78 PNP (0.47) PNPGDAALDH1A1TK1TYMP
SCHEMBL7326392 0.77 PNP (0.49) PNPGDAALDH1A1TK1KDM4E
SCHEMBL6233163 0.77 PNP (0.58) PNPGDAALDH1A1TK1KDM4E

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 PNP 302/4885GDA 47/4885ALDH1A1 4323/4885

“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.