SCHEMBL18521765

SCHEMBL18521765

O=C(Nc1ncnc2c([C@H]3C[C@H](O)[C@@H](CO)O3)cnn12)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ ADK P55263 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ LGALS9 O00182 1/20 0.35
▸ LGALS1 P09382 1/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ LGALS7; LGALS7B P47929 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ RIN1 Q13671 1/20 0.35

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
SCHEMBL16731210 1.00 GALR3 (0.39) GALR3NR2F2ADKADORA3ADORA2A
SCHEMBL16727958 0.84 ADORA1 (0.40) ADKADORA3ADORA2ALGALS9LGALS1
SCHEMBL21073965 0.84 ADORA1 (0.40) ADKADORA3ADORA2ALGALS9LGALS1
SCHEMBL25495898 0.84 ADORA1 (0.40) ADKADORA3ADORA2ALGALS9LGALS1
SCHEMBL20243833 0.78 ABL1 (0.35) ABL1RIN1
SCHEMBL18490384 0.77 GALR3 (0.41) GALR3NR2F2ADKADORA3POLB
SCHEMBL25495889 0.76 LGALS9 (0.35) ADORA3ADORA2ALGALS9LGALS1LGALS3
SCHEMBL17106668 0.76 HIF1A (0.39) ADKADORA3ADORA2APOLB
SCHEMBL16731212 0.76 ADORA2A (0.38) ADKADORA3ADORA2A
SCHEMBL25399504 0.74 TMPRSS2 (0.44) GALR3NR2F2ADKADORA3POLB

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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 GALR3 565/4885NR2F2 915/4885ADK 471/4885

“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.

Send feedback