SCHEMBL21362895

SCHEMBL21362895

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

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 6/20 0.74
▸ POLB P06746 1/20 0.65
▸ P2RX3 P56373 4/20 0.63
▸ P2RX1 P51575 3/20 0.63
▸ TSHR P16473 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ NT5E P21589 2/20 0.59
▸ PLCG1 P19174 1/20 0.59
▸ P2RY11 Q96G91 1/20 0.58
▸ P2RY1 P47900 3/20 0.56
▸ P2RY2 P41231 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ SRC P12931 1/20 0.56
▸ P2RX4 Q99571 1/20 0.56
▸ P2RX2 Q9UBL9 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL13970706 0.88 ENPP1 (0.61) ENPP1POLBP2RX3P2RX1TSHR
SCHEMBL20325241 0.86 P2RY1 (0.70) P2RX3P2RX1P2RY11P2RY1P2RY2
SCHEMBL21417133 0.86 P2RY1 (0.70) P2RX3P2RX1P2RY11P2RY1P2RY2
SCHEMBL809284 0.86 P2RY1 (0.70) P2RX3P2RX1P2RY11P2RY1P2RY2
SCHEMBL7615369 0.86 P2RY1 (0.64) P2RX3P2RX1P2RY11P2RY1P2RY2
SCHEMBL23982296 0.86 P2RY1 (0.70) P2RX3P2RX1P2RY11P2RY1P2RY2
SCHEMBL20419314 0.86 P2RY1 (0.70) P2RX3P2RX1P2RY11P2RY1P2RY2
SCHEMBL20225034 0.86 P2RY1 (0.70) P2RX3P2RX1P2RY11P2RY1P2RY2
SCHEMBL284986 0.86 P2RY1 (0.70) P2RX3P2RX1P2RY11P2RY1P2RY2
SCHEMBL3163036 0.85 P2RX1 (0.70) P2RX3P2RX1P2RY1P2RY2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 — — 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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP ENPP1 1/4885POLB 1369/4885P2RX3 1673/4885

“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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