SCHEMBL20128458

SCHEMBL20128458

Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.81
ADORA2A P29274 5/20 0.81
PDE2A O00408 1/20 0.81
ADORA1 P30542 1/20 0.81
ADRA1A P35348 1/20 0.81
PDE4D Q08499 1/20 0.81
PDE3A Q14432 1/20 0.81
LMNA P02545 2/20 0.78
TP53 P04637 1/20 0.78
NT5E P21589 1/20 0.75
HIF1A Q16665 1/20 0.75
ADORA2B P29275 3/20 0.73
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA4 P22748 1/20 0.72
CA9 Q16790 1/20 0.72

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
SCHEMBL6837087 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL19953842 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL1663268 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL13863559 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL104095 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL104094 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL1389446 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL397323 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL6886946 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL4535914 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A

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
US-10392417-B2 Polymorph of regadenoson and process for preparation thereof APICORE US LLC (US) 2019-08-27 US disclosed
US-20180127452-A1 NOVEL POLYMORPH OF REGADENOSON AND PROCESS FOR PREPARATION THEREOF APICORE US LLC (US) 2018-05-10 US disclosed
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 (2 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 ADORA3 674/4885ADORA2A 873/4885PDE2A 1095/4885
US-10392417-B2 Polymorph of regadenoson and process for preparation thereof CYP2D6, PRPF6, CYP2B6 ADORA3 553/4885ADORA2A 702/4885PDE2A 1060/4885

“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.