SCHEMBL17417835

SCHEMBL17417835

COOC[C@H]1O[C@](n2cnc3c(N)ncnc32)(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OCC(=O)NCCNC(=O)C(F)(F)F)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.37
NT5E P21589 1/20 0.34
CARM1 Q86X55 2/20 0.34
ADCY5 O95622 3/20 0.33
DOT1L Q8TEK3 2/20 0.33
AHCY P23526 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL15996151 0.85 ADORA1 (0.35) ADORA1NT5ECARM1ADCY5
SCHEMBL2483149 0.74 P2RY12 (0.35)
SCHEMBL31645122 0.71 ADORA1 (0.45) ADORA1NT5EAHCYADORA3
SCHEMBL15996150 0.70 TYMP (0.53) ADORA1NT5ECARM1
SCHEMBL9705275 0.69 ADORA3 (0.46) ADORA1DOT1LADORA3ADORA2B
SCHEMBL1068569 0.68 ADORA1 (0.44) ADORA1CARM1DOT1LADORA3ADORA2B
SCHEMBL7029674 0.68 ADORA1 (0.44) ADORA1NT5EAHCYADORA3
SCHEMBL5859569 0.67 PI4KA (0.43) ADORA1DOT1LADORA3ADORA2B
SCHEMBL17428139 0.67 ADORA1 (0.59) ADORA1DOT1LADORA3ADORA2B
SCHEMBL10381790 0.66 ADORA1 (0.43) ADORA1DOT1LADORA3ADORA2B

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 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

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 ADORA1 8/4885NT5E 9/4885CARM1 4082/4885

“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.