SCHEMBL16002740

SCHEMBL16002740

NCCNC(=O)CO[C@H]1C(O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 2/20 0.52
▸ ADORA2A P29274 8/20 0.52
▸ ADORA3 P0DMS8 4/20 0.52
▸ ADORA2B P29275 5/20 0.51
▸ PGK1 P00558 1/20 0.50
▸ PGK2 P07205 1/20 0.50
▸ ADORA1 P30542 4/20 0.49
▸ HSP90B1 P14625 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NT5E P21589 1/20 0.49
▸ HIF1A Q16665 1/20 0.49

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
SCHEMBL15993870 1.00 HINT1 (0.52) HINT1ADORA2AADORA3ADORA2BPGK1
SCHEMBL18950669 1.00 HINT1 (0.52) HINT1ADORA2AADORA3ADORA2BPGK1
SCHEMBL18950662 0.89 HINT1 (0.49) HINT1ADORA2AADORA3ADORA2BPGK1
SCHEMBL16002754 0.89 HINT1 (0.49) HINT1ADORA2AADORA3ADORA2BPGK1
SCHEMBL25269461 0.89 ADORA1 (0.63) ADORA2AADORA3ADORA2BADORA1HIF1A
SCHEMBL29707951 0.89 ADORA1 (0.63) ADORA2AADORA3ADORA2BADORA1HIF1A
SCHEMBL15993927 0.89 ADORA1 (0.63) ADORA2AADORA3ADORA2BADORA1HIF1A
SCHEMBL18950667 0.86 ADORA2A (0.57) HINT1ADORA2AADORA3ADORA2BADORA1
SCHEMBL16002755 0.86 ADORA2A (0.57) HINT1ADORA2AADORA3ADORA2BADORA1
SCHEMBL17417838 0.86 KRAS (0.52) HINT1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961757-B1 CELL-PENETRATING OLIGONUCLEOTIDES OLIGOMER SCIENCES AB (SE) 2017-06-14 — — EP disclosed
US-9463200-B2 Cell-penetrating oligonucleotides OLIGOMER SCIENCES AB (SE) 2016-10-11 — — US disclosed
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
US-20160008389-A1 Cell-Penetrating Oligonucleotides ASTRAZENECA AB (SE) 2016-01-14 — — US disclosed
WO-2014131892-A1 CELL-PENETRATING OLIGONUCLEOTIDES OLIGOMER SCIENCES AB (SE) 2014-09-04 — — WO 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 HINT1 942/4885ADORA2A 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.

Send feedback