SCHEMBL21078491

SCHEMBL21078491

C#C[C@]1(O)[C@H](n2cnc3c(=O)[nH]cnc32)O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.53
▸ P2RX3 P56373 4/20 0.49
▸ P2RY1 P47900 7/20 0.41
▸ P2RY2 P41231 4/20 0.41
▸ P2RY11 Q96G91 1/20 0.41
▸ HPRT1 P00492 1/20 0.37
▸ P2RX1 P51575 3/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ P2RX4 Q99571 2/20 0.36
▸ POLG P54098 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL16374050 0.88 POLG (0.48) ADORA3P2RY1P2RY2P2RY11HPRT1
SCHEMBL15833360 0.88 POLG (0.48) ADORA3P2RY1P2RY2P2RY11HPRT1
SCHEMBL15837276 0.87 POLG (0.39) ADORA3P2RY1P2RY2P2RY11POLG
SCHEMBL21078488 0.86 P2RY1 (0.56) P2RX3P2RY1P2RY2P2RY11P2RX1
SCHEMBL31228262 0.83 P2RY1 (0.47) P2RX3P2RY1P2RY2P2RY11P2RX1
SCHEMBL19859857 0.83 ADORA3 (0.46) ADORA3P2RX3HPRT1ALDH1A1LMNA
SCHEMBL21078686 0.81 P2RX3 (0.62) ADORA3P2RX3P2RY1P2RY2P2RY11
SCHEMBL16368345 0.81 POLG (0.49) P2RY2HPRT1POLG
SCHEMBL16374232 0.81 POLG (0.49) P2RY2HPRT1POLG
SCHEMBL18877332 0.81 POLG (0.49) P2RY2HPRT1POLG

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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 — — 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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADORA3 90/4885P2RX3 140/4885P2RY1 109/4885

“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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