SCHEMBL13614604

SCHEMBL13614604

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCc2ccccc2)[C@H](OC(=O)Cc2ccccc2)C1OC(=O)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.72
P2RX4 Q99571 6/20 0.72
P2RX2 Q9UBL9 4/20 0.72
P2RX1 P51575 3/20 0.65
P2RX7 Q99572 3/20 0.65
P2RY12 Q9H244 3/20 0.64
ENPP1 P22413 1/20 0.63
P2RX6 O15547 1/20 0.63
P2RX5 Q93086 1/20 0.63
P2RY11 Q96G91 1/20 0.63
P2RY1 P47900 4/20 0.60
P2RY2 P41231 4/20 0.60
SRC P12931 1/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MACROD2 A1Z1Q3 1/20 0.59
SIRT6 Q8N6T7 1/20 0.59
MACROD1 Q9BQ69 1/20 0.59
TRPM2 O94759 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
SCHEMBL14017388 1.00 P2RX3 (0.72) P2RX3P2RX4P2RX2P2RX1P2RX7
SCHEMBL13614589 0.85 P2RY1 (0.83) P2RX3P2RX4P2RX2P2RX1P2RY12
SCHEMBL13614594 0.85 P2RY1 (0.83) P2RX3P2RX4P2RX2P2RX1P2RY12
SCHEMBL14017382 0.85 P2RY1 (0.83) P2RX3P2RX4P2RX2P2RX1P2RY12
SCHEMBL14017387 0.85 P2RY1 (0.83) P2RX3P2RX4P2RX2P2RX1P2RY12
SCHEMBL5847481 0.84 P2RX3 (0.74) P2RX3P2RX4P2RX2P2RX1P2RX7
SCHEMBL5847412 0.84 P2RX3 (1.00) P2RX3P2RX4P2RX2P2RX1P2RX7
SCHEMBL5847211 0.81 RNASEL (0.73) P2RX3P2RX4P2RX2P2RX1P2RX7
SCHEMBL5848304 0.81 ENPP1 (0.73) P2RX3P2RX4P2RX2P2RX1P2RX7
SCHEMBL23922249 0.81 P2RX3 (0.60) P2RX3P2RX4P2RX2P2RX1P2RX7

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 2 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-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS DOUGLASS III JAMES G 2009-03-19 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 (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-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 P2RX3 143/4885P2RX4 285/4885P2RX2 158/4885

“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.