SCHEMBL24239185

SCHEMBL24239185

Nc1cc2c(ncn2N)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNP P00491 5/20 0.46
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TK1 P04183 2/20 0.35
XDH P47989 8/20 0.35
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
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32

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
SCHEMBL18519852 0.81 PNP (0.45) PNPALDH1A1TK1XDHTSHR
SCHEMBL23228201 0.81 XDH (0.36) PNPALDH1A1THRBL3MBTL1XDH
SCHEMBL23679550 0.81 PNP (0.45) PNPTK1XDHUSP2TSHR
SCHEMBL22381533 0.78 PNP (0.42) PNPALDH1A1TK1XDHUSP2
SCHEMBL18521164 0.77 SMN1; SMN2 (0.51) PNPALDH1A1L3MBTL1TK1XDH
SCHEMBL22901876 0.77 PNP (0.41) PNPALDH1A1TK1XDH
SCHEMBL18521156 0.77 PNP (0.45) PNPALDH1A1TK1USP2TSHR
SCHEMBL23619480 0.76 PNP (0.41) PNPTK1XDHHBB
SCHEMBL23867065 0.73 PNP (0.35) PNPTK1
SCHEMBL10671324 0.72 PNP (0.42) PNPTK1XDH

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-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 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-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 PNP 384/4885ALDH1A1 3999/4885THRB 2760/4885

“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.