SCHEMBL5974637

SCHEMBL5974637

OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](F)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADA P00813 1/20 0.55
▸ ADORA3 P0DMS8 3/20 0.54
▸ ADORA2A P29274 2/20 0.54
▸ ADORA1 P30542 2/20 0.54
▸ PDE2A O00408 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ CD99 P14209 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ DNMT3B Q9UBC3 1/20 0.49
▸ SLC29A1 Q99808 3/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SLC28A1 O00337 1/20 0.48
▸ MAP3K7 O43318 1/20 0.48
▸ SLC28A2 O43868 1/20 0.48
▸ GAPDH P04406 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL5974629 1.00 ADA (0.55) ADAADORA3ADORA2AADORA1PDE2A
SCHEMBL16926953 1.00 ADA (0.55) ADAADORA3ADORA2AADORA1PDE2A
SCHEMBL27734444 1.00 ADA (0.55) ADAADORA3ADORA2AADORA1PDE2A
Nebularine SCHEMBL29799158 0.89 ADA (0.65) ADAADORA3ADORA2AADORA1KDM4E
Nebularine SCHEMBL10666450 0.89 ADA (0.65) ADAADORA3ADORA2AADORA1KDM4E
Nebularine SCHEMBL742475 0.89 ADA (0.65) ADAADORA3ADORA2AADORA1KDM4E
Nebularine SCHEMBL9644429 0.89 ADA (0.65) ADAADORA3ADORA2AADORA1KDM4E
Nebularine SCHEMBL745560 0.89 ADA (0.65) ADAADORA3ADORA2AADORA1KDM4E
Nebularine SCHEMBL29362246 0.89 ADA (0.65) ADAADORA3ADORA2AADORA1KDM4E
Nebularine SCHEMBL27552329 0.89 ADA (0.65) ADAADORA3ADORA2AADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024567-A1 MODIFIED CYCLIC DINUCLEOTIDE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2021-01-28 — — US disclosed
WO-2019185476-A1 MODIFIED CYCLIC DINUCLEOTIDE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-03 — — WO disclosed
EP-1261350-B1 METHODS FOR SYNTHESIZING 2-CHLORO-9-(2-DEOXY-2-FLUORO-BETA-D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE SOUTHERN RES INST (US) 2006-07-12 — — EP 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-20210024567-A1 MODIFIED CYCLIC DINUCLEOTIDE COMPOUNDS STING1, CGAS, IRF3 ADA 345/4885ADORA3 363/4885ADORA2A 190/4885

“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.

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