SCHEMBL16368081

SCHEMBL16368081

C#C[C@@]1(O)[C@H](O)[C@@](CCl)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ccnc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 9/20 0.40
▸ P2RY2 P41231 5/20 0.40
▸ P2RY11 Q96G91 1/20 0.40
▸ P2RX3 P56373 5/20 0.37
▸ P2RX1 P51575 4/20 0.37
▸ P2RX2 Q9UBL9 3/20 0.37
▸ P2RX4 Q99571 3/20 0.37
▸ NT5E P21589 1/20 0.36
▸ RNASEL Q05823 1/20 0.35
▸ GPR17 Q13304 1/20 0.35
▸ SRC P12931 1/20 0.34

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
SCHEMBL16368005 0.93 P2RY1 (0.40) P2RY1P2RY2P2RY11P2RX3P2RX1
SCHEMBL16368356 0.88 P2RY1 (0.53) P2RY1P2RY2P2RY11P2RX3P2RX1
SCHEMBL16374203 0.88 P2RY1 (0.53) P2RY1P2RY2P2RY11P2RX3P2RX1
SCHEMBL16368008 0.88 P2RY1 (0.42) P2RY1P2RY2P2RY11P2RX3P2RX1
SCHEMBL16367946 0.83 AHCY (0.41) NT5E
SCHEMBL16368111 0.82 NT5E (0.34) NT5E
SCHEMBL16367977 0.82 P2RY1 (0.41) P2RY1P2RY2P2RY11P2RX3P2RX1
SCHEMBL16368332 0.81 P2RY1 (0.53) P2RY1P2RY2P2RY11P2RX3P2RX1
SCHEMBL16374209 0.81 P2RY1 (0.53) P2RY1P2RY2P2RY11P2RX3P2RX1
SCHEMBL15070345 0.81 P2RX3 (0.42) P2RY1P2RY2P2RY11P2RX3P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 — — US disclosed
US-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2018-02-15 — — US disclosed
US-9862743-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-01-09 — — US disclosed
US-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 — — US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — US disclosed
US-9603863-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 — — US disclosed
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-04-16 — — US disclosed
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 — — 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 (8 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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP P2RY1 192/4885P2RY2 451/4885P2RY11 224/4885
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B P2RY1 69/4885P2RY2 127/4885P2RY11 80/4885
US-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 P2RY1 84/4885P2RY2 154/4885P2RY11 95/4885
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP P2RY1 192/4885P2RY2 451/4885P2RY11 224/4885
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B P2RY1 134/4885P2RY2 250/4885P2RY11 125/4885
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 P2RY1 84/4885P2RY2 154/4885P2RY11 95/4885
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B P2RY1 134/4885P2RY2 250/4885P2RY11 125/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B P2RY1 69/4885P2RY2 127/4885P2RY11 80/4885

“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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