SCHEMBL5994438

SCHEMBL5994438

NOP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.72
TGM2 P21980 1/20 0.71
KRAS P01116 5/20 0.65
FUT5 Q11128 1/20 0.64
IMPDH2 P12268 6/20 0.61
IMPDH1 P20839 2/20 0.61
P2RY6 Q15077 2/20 0.61
P2RY2 P41231 1/20 0.61
P2RY4 P51582 1/20 0.61
ENPP1 P22413 2/20 0.60
P2RY1 P47900 2/20 0.60
P2RY12 Q9H244 1/20 0.60
HINT1 P49773 1/20 0.60
P2RX3 P56373 2/20 0.59
P2RX1 P51575 1/20 0.59
P2RY11 Q96G91 1/20 0.59
P2RX4 Q99571 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59

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
SCHEMBL4410906 0.97 NT5E (0.74) NT5ETGM2KRASFUT5IMPDH2
SCHEMBL28275952 0.96 NT5E (0.75) NT5ETGM2KRASFUT5IMPDH2
SCHEMBL8501729 0.95 NT5E (0.74) NT5ETGM2KRASFUT5IMPDH2
SCHEMBL28222628 0.95 NT5E (0.74) NT5ETGM2KRASFUT5IMPDH2
SCHEMBL27819299 0.95 NT5E (0.74) NT5ETGM2KRASFUT5IMPDH2
SCHEMBL574773 0.95 NT5E (0.74) NT5ETGM2KRASFUT5IMPDH2
SCHEMBL4366555 0.94 NT5E (0.73) NT5ETGM2KRASFUT5IMPDH2
SCHEMBL28597191 0.94 NT5E (0.73) NT5ETGM2KRASFUT5IMPDH2
SCHEMBL15747222 0.93 NT5E (0.71) NT5ETGM2KRASFUT5IMPDH2
SCHEMBL20850061 0.93 NT5E (0.71) NT5ETGM2KRASFUT5IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135467-A1 Partial and full agonists of A1 adenosine receptors ZABLOCKI JEFF 2006-06-22 US disclosed
US-7022681-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2006-04-04 US disclosed
EP-1537133-A2 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2005-06-08 EP disclosed
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-03-04 US disclosed
WO-2004016635-A2 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-02-26 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 (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-20060135467-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 NT5E 638/4885TGM2 3887/4885KRAS 4339/4885
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 NT5E 710/4885TGM2 3851/4885KRAS 4291/4885

“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.