SCHEMBL21100303

SCHEMBL21100303

C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 10/20 0.52
▸ P2RY2 P41231 4/20 0.52
▸ P2RY11 Q96G91 2/20 0.48
▸ CA5A P35218 1/20 0.47
▸ ENPP1 P22413 2/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ P2RX3 P56373 1/20 0.44
▸ P2RY6 Q15077 1/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ P2RY12 Q9H244 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ AHCY P23526 3/20 0.43
▸ RNASEL Q05823 1/20 0.42

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
SCHEMBL21100347 0.90 P2RY1 (0.46) P2RY1P2RY2P2RY11CA5AENPP1
SCHEMBL21100457 0.90 P2RY1 (0.65) P2RY1P2RY2P2RY11ENPP1P2RX1
SCHEMBL21050320 0.86 P2RY1 (0.50) P2RY1P2RY2P2RY11CA5AENPP1
SCHEMBL21050255 0.86 P2RY1 (0.50) P2RY1P2RY2P2RY11CA5AENPP1
SCHEMBL21100151 0.85 POLG (0.53) P2RY1P2RY2P2RY6
SCHEMBL26289790 0.83 P2RY1 (0.50) P2RY1P2RY2P2RY11CA5AENPP1
SCHEMBL21100587 0.83 P2RY1 (0.53) P2RY1P2RY2P2RY11NT5E
SCHEMBL21257375 0.81 P2RY1 (0.62) P2RY1P2RY2P2RY11NT5E
SCHEMBL21100354 0.81 AHCY (0.54) CA5ANT5EAHCY
SCHEMBL31652871 0.79 P2RY1 (0.48) P2RY1P2RY2P2RY11CA5AENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-22 — — US disclosed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — 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 (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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors SAMHD1, POLRMT, RNGTT P2RY1 3371/4885P2RY2 4227/4885P2RY11 3737/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT P2RY1 3371/4885P2RY2 4227/4885P2RY11 3737/4885

“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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