SCHEMBL20529826

SCHEMBL20529826

NCCCCCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.65
▸ P2RY2 P41231 3/20 0.65
▸ SRC P12931 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ P2RX1 P51575 2/20 0.65
▸ P2RX3 P56373 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ P2RX4 Q99571 1/20 0.65
▸ P2RX2 Q9UBL9 1/20 0.65
▸ TAS1R3 Q7RTX0 2/20 0.64
▸ TAS1R1 Q7RTX1 2/20 0.64
▸ TRPM2 O94759 2/20 0.62
▸ DNPH1 O43598 1/20 0.62
▸ PRKAB2 O43741 1/20 0.62
▸ LDHA P00338 1/20 0.62
▸ ADRB2 P07550 1/20 0.62
▸ FBP1 P09467 1/20 0.62
▸ ADORA1 P30542 1/20 0.62
▸ PRKAG1 P54619 1/20 0.62
▸ PRKAA2 P54646 1/20 0.62

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
Adenosine Phosphate SCHEMBL31666008 0.96 P2RY1 (0.69) P2RY1P2RY2SRCSMN1; SMN2P2RX1
Adenosine Phosphate SCHEMBL20529828 0.93 P2RY1 (0.65) P2RY1P2RY2SRCSMN1; SMN2P2RX1
Adenosine SCHEMBL20529823 0.90 FBP1 (0.69) SMN1; SMN2FBP1ADORA1RNASEL
SCHEMBL20266254 0.90 FBP1 (0.63) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL8388000 0.89 FBP1 (0.64) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL4209829 0.89 ENTPD1 (0.66) TRPM2FBP1NT5E
SCHEMBL4206199 0.88 ENTPD1 (0.67) TRPM2FBP1NT5E
Lithium Ion SCHEMBL30999928 0.86 FBP1 (0.60) FBP1NT5E
Lithium Ion SCHEMBL20266257 0.86 FBP1 (0.60) FBP1NT5E
SCHEMBL12450414 0.85 P2RY1 (0.72) P2RY1P2RY2SRCSMN1; SMN2P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054741-A1 PEPTIDE-BASED VACCINES, METHODS OF MANUFACTURING, AND USES THEREOF FOR INDUCING AN IMMUNE RESPONSE AVIDEA TECHNOLOGIES, INC. (US) 2020-02-20 — — US disclosed
EP-3606551-A1 PEPTIDE-BASED VACCINES, METHODS OF MANUFACTURING, AND USES THEREOF FOR INDUCING AN IMMUNE RESPONSE Avidea Technologies, Inc. (US) 2020-02-12 — — EP disclosed
WO-2018187515-A1 PEPTIDE-BASED VACCINES, METHODS OF MANUFACTURING, AND USES THEREOF FOR INDUCING AN IMMUNE RESPONSE AVIDEA TECHNOLOGIES, INC. (US) 2018-10-11 — — 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 (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-20200054741-A1 PEPTIDE-BASED VACCINES, METHODS OF MANUFACTURING, AND USES THEREOF FOR INDUCING AN IMMUNE RESPONSE MYD88, ICOS, CD4 P2RY1 4494/4885P2RY2 4504/4885SRC 2807/4885

“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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