SCHEMBL16368119

SCHEMBL16368119

O=c1[nH]cnc2c1ncn2[C@@H]1O[C@](CCl)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 4/20 0.55
▸ ADORA3 P0DMS8 2/20 0.53
▸ STING1 Q86WV6 7/20 0.41
▸ P2RX1 P51575 2/20 0.41
▸ P2RX2 Q9UBL9 2/20 0.41
▸ P2RY2 P41231 3/20 0.40
▸ P2RY1 P47900 3/20 0.40
▸ P2RY11 Q96G91 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ KRAS P01116 1/20 0.40

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
SCHEMBL16368336 0.88 KRAS (0.53) STING1P2RY2KRAS
SCHEMBL19986613 0.88 KRAS (0.53) STING1P2RY2KRAS
SCHEMBL16367960 0.86 IMPDH2 (0.43) P2RX3ADORA3P2RX1P2RY2P2RY1
SCHEMBL16490110 0.86 P2RX1 (0.57) P2RX3P2RX1P2RX2P2RY2P2RY1
SCHEMBL15070748 0.86 P2RX1 (0.57) P2RX3P2RX1P2RX2P2RY2P2RY1
SCHEMBL15070345 0.85 P2RX3 (0.42) P2RX3P2RX1P2RX2P2RY2P2RY1
SCHEMBL17359754 0.81 POLG (0.51) STING1P2RY2P2RY1KRAS
SCHEMBL16373906 0.81 POLG (0.51) STING1P2RY2P2RY1KRAS
SCHEMBL18672020 0.80 POLG (0.51) STING1P2RY2KRAS
SCHEMBL17359759 0.80 POLG (0.51) STING1P2RY2KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 — — 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 (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-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B P2RX3 90/4885ADORA3 53/4885STING1 698/4885

“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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