SCHEMBL3487544

SCHEMBL3487544

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@@H](O)[C@H]1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 10/20 0.84
▸ P2RY2 P41231 3/20 0.84
▸ SRC P12931 2/20 0.84
▸ SMN1; SMN2 Q16637 2/20 0.84
▸ TRPM2 O94759 2/20 0.84
▸ TAS1R3 Q7RTX0 2/20 0.84
▸ TAS1R1 Q7RTX1 2/20 0.84
▸ P2RY11 Q96G91 2/20 0.84
▸ DNPH1 O43598 1/20 0.84
▸ PRKAB2 O43741 1/20 0.84
▸ LDHA P00338 1/20 0.84
▸ ADRB2 P07550 1/20 0.84
▸ FBP1 P09467 1/20 0.84
▸ ADORA1 P30542 1/20 0.84
▸ PRKAG1 P54619 1/20 0.84
▸ PRKAA2 P54646 1/20 0.84
▸ PDE4D Q08499 1/20 0.84
▸ KCNH2 Q12809 1/20 0.84
▸ PRKAA1 Q13131 1/20 0.84
▸ PDE3A Q14432 1/20 0.84

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
SCHEMBL1835414 0.93 P2RY1 (0.86) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL2512522 0.92 P2RY1 (0.96) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL14478782 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Vidarabine Phosphate SCHEMBL144996 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL13374692 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL18785114 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL5588 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL2683103 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL15646670 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL3046222 0.92 P2RY1 (0.92) P2RY1P2RY2SRCSMN1; SMN2TRPM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530408-B2 Substrates of N-end rule ubiquitylation and methods for measuring the ubiquitylation of these substrate MESO SCALE TECHNOLOGIES LLC (US) 2013-09-10 — — US disclosed
US-20100048485-A1 SUBSTRATES OF N-END RULE UBIQUITYLATION AND METHODS FOR MEASURING THE UBIQUITYLATION OF THESE SUBSTRATE MESO SCALE TECHNOLOGIES LLC (US) 2010-02-25 — — US disclosed
US-7608682-B2 Substrates of N-end rule ubiquitylation and methods for measuring the ubiquitylation of these substrates MESO SCALE TECHNOLOGIES LLC (US) 2009-10-27 — — US disclosed
US-7217523-B2 Nucleoside phosphoramidates and nucleoside phosphoramidases REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-05-15 — — US disclosed
US-20060014193-A1 Nucleoside phosphoramidates and nucleoside phosphoramidases REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-19 — — US disclosed
US-20040137597-A1 Substrates of N-end rule ubiquitylation and methods for measuring the ubiquitylation of these substrates MESO SCALE TECHNOLOGIES LLC 2004-07-15 — — US disclosed
WO-2004042352-A2 SUBSTRATES OF N-END RULE UBIQUITYLATION AND METHODS FOR MEASURING THE UBIQUITYLATION OF THESE SUBSTRATES MESO SCALE TECHNOLOGIES, LLC (US) 2004-05-21 — — 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-20100048485-A1 SUBSTRATES OF N-END RULE UBIQUITYLATION AND METHODS FOR MEASURING THE UBIQUITYLATION OF THESE SUBSTRATE STUB1, UBR4, UBE3A P2RY1 4682/4885P2RY2 4813/4885SRC 3110/4885

“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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