SCHEMBL17417837

SCHEMBL17417837

CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)[C@@H](O)[C@H]1OCC(=O)NCCNC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.48
ADORA2B P29275 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2A P29274 1/20 0.40
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL15996150 0.89 TYMP (0.53) TYMPADORA1
SCHEMBL2483147 0.88 TYMP (0.56) TYMPADORA2BADORA1ADORA2AP2RY12
SCHEMBL26631290 0.85 TYMP (0.50) TYMPADORA2BADORA1ADORA2AP2RY12
SCHEMBL26631288 0.85 TYMP (0.50) TYMPADORA2BADORA1ADORA2AP2RY12
SCHEMBL6899475 0.82 TYMP (0.56) TYMPADORA2BADORA1ADORA2AP2RY12
SCHEMBL18950649 0.82 ADORA3 (0.46) ADORA3ADORA1P2RY12
SCHEMBL6898807 0.81 TYMP (0.55) TYMPADORA2BADORA1ADORA2AP2RY12
SCHEMBL6900160 0.81 TYMP (0.56) TYMPADORA2BADORA1ADORA2AP2RY12
SCHEMBL15994035 0.81 TYMP (0.52) TYMP
SCHEMBL13785237 0.80 TYMP (0.54) TYMPADORA2BADORA3ADORA1ADORA2A

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
EP-2961757-B1 CELL-PENETRATING OLIGONUCLEOTIDES OLIGOMER SCIENCES AB (SE) 2017-06-14 EP claimed
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 TYMP 3/4885ADORA2B 37/4885ADORA3 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.