SCHEMBL13614730

SCHEMBL13614730

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.69
P2RY12 Q9H244 5/20 0.69
P2RY2 P41231 3/20 0.69
P2RY6 Q15077 1/20 0.69
P2RX3 P56373 4/20 0.64
P2RX2 Q9UBL9 4/20 0.64
P2RX4 Q99571 2/20 0.61
SRC P12931 1/20 0.61
P2RX1 P51575 1/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GPR17 Q13304 1/20 0.60
MACROD2 A1Z1Q3 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
MACROD1 Q9BQ69 1/20 0.57
TRPM2 O94759 1/20 0.57
NT5E P21589 1/20 0.57

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
SCHEMBL13614760 0.93 P2RY12 (0.67) P2RY1P2RY12P2RY2P2RY6P2RX3
SCHEMBL13614737 0.91 P2RY12 (0.65) P2RY1P2RY12P2RY2P2RY6P2RX3
SCHEMBL13614732 0.91 P2RY12 (0.68) P2RY1P2RY12P2RY2P2RY6P2RX3
SCHEMBL13614763 0.90 P2RY12 (0.67) P2RY1P2RY12P2RY2P2RY6P2RX3
SCHEMBL13614735 0.89 P2RY12 (0.66) P2RY1P2RY12P2RY2P2RY6P2RX3
SCHEMBL13614740 0.88 P2RY12 (0.88) P2RY1P2RY12P2RY2P2RY6P2RX3
SCHEMBL13614729 0.88 P2RY12 (0.70) P2RY1P2RY12P2RY2P2RY6P2RX3
SCHEMBL13614734 0.88 P2RY12 (0.64) P2RY1P2RY12P2RY2P2RY6P2RX3
SCHEMBL13614738 0.88 P2RY12 (0.64) P2RY1P2RY12P2RY2P2RY6P2RX3
SCHEMBL13614749 0.88 GPR17 (0.69) P2RY1P2RY12P2RY2P2RY6P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612047-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-7612047-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS DOUGLASS III JAMES G 2009-03-19 US disclosed
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS DOUGLASS III JAMES G 2009-03-19 US disclosed
US-7435724-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICAL, INC. (US) 2008-10-14 US disclosed
US-7435724-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICAL, INC. (US) 2008-10-14 US disclosed
US-20070244068-A1 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. 2007-10-18 US disclosed
US-20070244068-A1 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. 2007-10-18 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-20070244068-A1 Degradation-resistant mononucleoside phosphate compounds PNKP, ENTPD5, ENPP1 P2RY1 60/4885P2RY12 65/4885P2RY2 75/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 P2RY1 60/4885P2RY12 65/4885P2RY2 75/4885

“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.