SCHEMBL22399284

SCHEMBL22399284

CNC(C)n1nnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNP P00491 9/20 0.44
XDH P47989 4/20 0.36
DHFR P00374 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPRT1 P00492 1/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
HBB P68871 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL13396185 0.85 PNP (0.45) PNPXDHDHFRMITFTP53
SCHEMBL21126210 0.84 PNP (0.44) PNPXDHDHFRMITFTP53
SCHEMBL21943368 0.77 PNP (0.44) PNPXDHALDH1A1LMNAHPRT1
SCHEMBL21126204 0.76 PNP (0.48) PNPXDHKDM4EALDH1A1LMNA
SCHEMBL21128392 0.75 PNP (0.43) PNPXDHALDH1A1LMNAHIF1A
SCHEMBL4046792 0.73 PNP (0.51) PNPXDHMITFTP53THRB
SCHEMBL20782353 0.73 HPRT1 (0.51) PNPXDHALDH1A1LMNAHSD17B10
SCHEMBL21539446 0.72 PNP (0.49) PNPXDHDHFRKDM4EALDH1A1
SCHEMBL24434585 0.71 PNP (0.46) PNPXDHDHFRKDM4EALDH1A1
SCHEMBL25811228 0.70 PNP (0.65) PNPHPRT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 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 (2 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 PNP 305/4885XDH 16/4885DHFR 4805/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 PNP 462/4885XDH 16/4885DHFR 4845/4885

“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.