SCHEMBL20128456

SCHEMBL20128456

NNc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 1.00
ADORA2B P29275 2/20 1.00
CYP1A2 P05177 2/20 0.76
THPO P40225 1/20 0.76
MEN1 O00255 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
KMT2A Q03164 1/20 0.76
BLM P54132 1/20 0.76
LMNA P02545 1/20 0.73
NT5E P21589 1/20 0.73
HIF1A Q16665 1/20 0.73

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
SCHEMBL14131219 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL8373455 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL15472807 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL7753712 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL489384 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL24652562 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL278439 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL489378 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL22826758 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL6725298 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127452-A1 NOVEL POLYMORPH OF REGADENOSON AND PROCESS FOR PREPARATION THEREOF APICORE US LLC (US) 2018-05-10 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-20180127452-A1 NOVEL POLYMORPH OF REGADENOSON AND PROCESS FOR PREPARATION THEREOF PRPF6, CYP2D6, ADH1A ADORA2A 873/4885ADORA2B 577/4885CYP1A2 28/4885

“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.