SCHEMBL17428184

SCHEMBL17428184

CC(=O)Nc1nc(NC(C)=O)c2ncn([C@@H]3O[C@H](CO)C(O)[C@@H]3OCC(=O)NCCNC(=O)C(F)(F)F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.47
▸ ADORA2A P29274 11/20 0.45
▸ ADORA3 P0DMS8 11/20 0.45
▸ ADORA1 P30542 11/20 0.45
▸ SLC29A1 Q99808 2/20 0.43
▸ PGK1 P00558 1/20 0.41
▸ PGK2 P07205 1/20 0.41

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
SCHEMBL16002754 0.82 HINT1 (0.49) ADORA2AADORA3ADORA1PGK1PGK2
SCHEMBL18950662 0.82 HINT1 (0.49) ADORA2AADORA3ADORA1PGK1PGK2
SCHEMBL16002733 0.81 KRAS (0.53) —
SCHEMBL17417840 0.81 KRAS (0.53) —
SCHEMBL17417839 0.81 KRAS (0.53) —
SCHEMBL17428139 0.80 ADORA1 (0.59) ADORA2AADORA3ADORA1SLC29A1
SCHEMBL17428138 0.79 ADORA1 (0.51) ADORA2AADORA3ADORA1SLC29A1
SCHEMBL26631283 0.79 SLC29A1 (0.50) ADORA2AADORA1SLC29A1
SCHEMBL26631287 0.79 SLC29A1 (0.50) ADORA2AADORA1SLC29A1
SCHEMBL8615037 0.78 ADORA2A (0.55) ADORA2AADORA3ADORA1SLC29A1PGK1

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-9463200-B2 Cell-penetrating oligonucleotides OLIGOMER SCIENCES AB (SE) 2016-10-11 — — US disclosed
US-20160008389-A1 Cell-Penetrating Oligonucleotides ASTRAZENECA AB (SE) 2016-01-14 — — 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-20160008389-A1 Cell-Penetrating Oligonucleotides SLC29A1, SLC29A2, TYMP ACHE 4725/4885ADORA2A 28/4885ADORA3 10/4885

“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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