SCHEMBL10121328

SCHEMBL10121328

C#Cc1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@]4(CP(=O)(OCC)OCC)C[C@H]34)c2n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 10/20 0.56
▸ P2RY2 P41231 3/20 0.52
▸ ADORA3 P0DMS8 8/20 0.51
▸ ADORA1 P30542 3/20 0.51
▸ ADORA2A P29274 3/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ HSP90B1 P14625 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ P2RY11 Q96G91 1/20 0.48

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
SCHEMBL12269837 0.92 P2RY1 (0.55) P2RY1P2RY2ADORA3ADORA1ADORA2A
SCHEMBL10121164 0.87 P2RY1 (0.73) P2RY1P2RY2ADORA3ADORA1ADORA2A
SCHEMBL10121327 0.87 ADORA3 (0.67) P2RY1P2RY2ADORA3ADORA1ADORA2A
SCHEMBL12269798 0.80 P2RY1 (0.58) P2RY1P2RY2ADORA3ADORA1ADORA2A
SCHEMBL10121166 0.80 P2RY1 (0.73) P2RY1P2RY2ADORA3ADORA1ADORA2A
SCHEMBL17830413 0.79 P2RY1 (0.72) P2RY1P2RY2ADORA3ADORA1ADORA2A
SCHEMBL12269667 0.79 ADORA3 (0.66) P2RY1P2RY2ADORA3ADORA1ADORA2A
SCHEMBL12269878 0.77 P2RY1 (0.61) P2RY1P2RY2ADORA3ADORA1ADORA2A
SCHEMBL12269827 0.77 P2RY1 (0.40) P2RY1P2RY2ADORA3ADORA1ADORA2A
SCHEMBL17830427 0.77 P2RY1 (0.40) P2RY1P2RY2ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303053-B2 Compositions and methods to treat cardiac diseases UNIVERSITY OF CONNECTICUT (US) 2016-04-05 — — US disclosed
US-20150038463-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES UNIV CONNECTICUT (US) 2015-02-05 — — US disclosed
WO-2011103552-A9 AMP DERIVATIVES FOR TREATING CARDIAC DISEASES UNIVERSITY OF CONNECTICUT (US) 2012-04-26 — — WO disclosed
WO-2011103552-A2 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES UNIVERSITY OF CONNECTICUT (US) 2011-08-25 — — 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-20150038463-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES P2RY12, P2RX6, P2RY14 P2RY1 4/4885P2RY2 8/4885ADORA3 84/4885

“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.

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