Sugi Predict

Sugi Predict / Compounds / SCHEMBL800684

SCHEMBL800684

SCHEMBL800684

C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 4/20 0.64
▸ P2RY1 P47900 4/20 0.61
▸ P2RX1 P51575 2/20 0.61
▸ P2RX3 P56373 2/20 0.61
▸ P2RX2 Q9UBL9 2/20 0.61
▸ SRC P12931 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ P2RX4 Q99571 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ RNASEL Q05823 1/20 0.59
▸ TRPM2 O94759 2/20 0.58
▸ DNPH1 O43598 1/20 0.58
▸ PRKAB2 O43741 1/20 0.58
▸ LDHA P00338 1/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ FBP1 P09467 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ PRKAG1 P54619 1/20 0.58
▸ PRKAA2 P54646 1/20 0.58
▸ PDE4D Q08499 1/20 0.58

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
SCHEMBL800850 1.00 P2RY2 (0.64) P2RY2P2RY1P2RX1P2RX3P2RX2
SCHEMBL8438661 1.00 P2RY2 (0.64) P2RY2P2RY1P2RX1P2RX3P2RX2
SCHEMBL800851 1.00 P2RY2 (0.64) P2RY2P2RY1P2RX1P2RX3P2RX2
SCHEMBL5320373 0.91 P2RY2 (0.63) P2RY2P2RY1P2RX1P2RX3P2RX2
SCHEMBL8441715 0.91 P2RY2 (0.62) P2RY2P2RY1P2RX1P2RX3P2RX2
SCHEMBL8441738 0.91 P2RY2 (0.52) P2RY2P2RY1P2RX1P2RX3P2RX2
SCHEMBL3164897 0.90 P2RY2 (0.65) P2RY2P2RY1P2RX1P2RX3P2RX2
SCHEMBL11895432 0.89 P2RY2 (0.62) P2RY2P2RY1P2RX1P2RX3P2RX2
SCHEMBL4261443 0.89 P2RY2 (0.64) P2RY2P2RY1P2RX1P2RX3P2RX2
SCHEMBL787408 0.89 AHCY (0.59) P2RY2P2RY1P2RX1P2RX3P2RX2

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
EP-2623104-A1 Substituted nucleoside and nucleotide analogs Alios Biopharma, Inc. (US) 2013-08-07 — — EP disclosed
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 — — WO disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — US disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 — — US disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 — — US disclosed
WO-2010108140-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 — — 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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 P2RY2 101/4885P2RY1 57/4885P2RX1 134/4885
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR P2RY2 103/4885P2RY1 55/4885P2RX1 88/4885

“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.