SCHEMBL10120960

SCHEMBL10120960

Nc1nc(Cl)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.83
P2RY11 Q96G91 5/20 0.83
NT5E P21589 3/20 0.82
CA5A P35218 1/20 0.79
ADORA3 P0DMS8 4/20 0.74
CA1 P00915 1/20 0.74
CA2 P00918 1/20 0.74
CA4 P22748 1/20 0.74
CA9 Q16790 1/20 0.74
ADORA1 P30542 2/20 0.73
DNPH1 O43598 1/20 0.73
PRKAB2 O43741 1/20 0.73
TRPM2 O94759 1/20 0.73
LDHA P00338 1/20 0.73
ADRB2 P07550 1/20 0.73
FBP1 P09467 1/20 0.73
SRC P12931 1/20 0.73
P2RY2 P41231 1/20 0.73
PRKAG1 P54619 1/20 0.73
PRKAA2 P54646 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
SCHEMBL8423419 1.00 P2RY1 (0.83) P2RY1P2RY11NT5ECA5AADORA3
SCHEMBL8423402 1.00 P2RY1 (0.83) P2RY1P2RY11NT5ECA5AADORA3
SCHEMBL2025155 0.92 P2RY1 (0.87) P2RY1P2RY11NT5EADORA3CA1
SCHEMBL2025163 0.92 P2RY1 (0.87) P2RY1P2RY11NT5EADORA3CA1
SCHEMBL2027165 0.92 P2RY1 (0.85) P2RY1P2RY11NT5EADORA3SRC
SCHEMBL2027164 0.92 P2RY1 (0.85) P2RY1P2RY11NT5EADORA3SRC
SCHEMBL15082695 0.92 P2RY1 (0.85) P2RY1P2RY11NT5EADORA3SRC
SCHEMBL29880723 0.92 P2RY1 (0.85) P2RY1P2RY11NT5EADORA3SRC
SCHEMBL14074374 0.91 NT5E (0.83) P2RY1P2RY11NT5ECA5AADORA3
SCHEMBL9136027 0.91 NT5E (0.83) P2RY1P2RY11NT5ECA5AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526739-B2 Compositions and methods to treat cardiac diseases UNIVERSITY OF CONNECTICUT (US) 2016-12-27 US disclosed
US-9526739-B2 Compositions and methods to treat cardiac diseases UNIVERSITY OF CONNECTICUT (US) 2016-12-27 US disclosed
US-20160166591-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES GOOGLE LLC 2016-06-16 US disclosed
US-20160166591-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES GOOGLE LLC 2016-06-16 US disclosed
US-9303053-B2 Compositions and methods to treat cardiac diseases UNIVERSITY OF CONNECTICUT (US) 2016-04-05 US disclosed
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
US-20150038463-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES UNIV CONNECTICUT (US) 2015-02-05 US disclosed
US-8822434-B2 Compositions and methods to treat cardiac diseases THE UNIVERSITY OF CONNECTICUT (US) 2014-09-02 US disclosed
US-8822434-B2 Compositions and methods to treat cardiac diseases THE UNIVERSITY OF CONNECTICUT (US) 2014-09-02 US disclosed
WO-2011103552-A9 AMP DERIVATIVES FOR TREATING CARDIAC DISEASES UNIVERSITY OF CONNECTICUT (US) 2012-04-26 WO disclosed
US-20110212924-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES UNIVERSITY OF CONNECTICUT 2011-09-01 US disclosed
US-20110212924-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES UNIVERSITY OF CONNECTICUT 2011-09-01 US 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 (3 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-20110212924-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES P2RY12, P2RX6, P2RY14 P2RY1 4/4885P2RY11 13/4885NT5E 486/4885
US-20150038463-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES P2RY12, P2RX6, P2RY14 P2RY1 4/4885P2RY11 13/4885NT5E 486/4885
US-20160166591-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES P2RY12, P2RX6, P2RY14 P2RY1 4/4885P2RY11 13/4885NT5E 486/4885

“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.